smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[C@@H](N[C@H]1CCCOC1)c1ccccc1 ZINC000161064893 538913522 /nfs/dbraw/zinc/91/35/22/538913522.db2.gz UTMYJTMCQKRYNI-UONOGXRCSA-N 0 3 235.327 1.879 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000159882253 345582284 /nfs/dbraw/zinc/58/22/84/345582284.db2.gz JZEDQGPXBHPLOZ-SBMIAAHKSA-N 0 3 218.300 1.383 20 70 BDIDHN CCc1nn(C)cc1CN[C@@H](C)CSC ZINC000161396635 346179526 /nfs/dbraw/zinc/17/95/26/346179526.db2.gz MURBSJRSHNKNDF-VIFPVBQESA-N 0 3 227.377 1.824 20 70 BDIDHN Cc1cccc([C@H](C)NC(=O)[C@H](C)N)c1C ZINC000160833679 179194436 /nfs/dbraw/zinc/19/44/36/179194436.db2.gz YWQPWMKMHIHMSL-QWRGUYRKSA-N 0 3 220.316 1.828 20 70 BDIDHN CCc1nnc(C[NH2+][C@@H](CCO)C(C)(C)C)[n-]1 ZINC000160546787 349170025 /nfs/dbraw/zinc/17/00/25/349170025.db2.gz XEAMOTVHERWITM-VIFPVBQESA-N 0 3 240.351 1.254 20 70 BDIDHN CCN1CCCN(C(=O)NCCSC)CC1 ZINC000159797178 350997755 /nfs/dbraw/zinc/99/77/55/350997755.db2.gz GVJFGPIUZUXKPL-UHFFFAOYSA-N 0 3 245.392 1.087 20 70 BDIDHN Cn1nccc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159585047 351739768 /nfs/dbraw/zinc/73/97/68/351739768.db2.gz KWNUKUWTQKSCJT-AVGNSLFASA-N 0 3 247.342 1.467 20 70 BDIDHN NCC(=O)NCc1ccccc1OCC1CC1 ZINC000160099552 181354591 /nfs/dbraw/zinc/35/45/91/181354591.db2.gz LDWIKLYRQWLZMR-UHFFFAOYSA-N 0 3 234.299 1.050 20 70 BDIDHN CC(C)N1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161404253 368144802 /nfs/dbraw/zinc/14/48/02/368144802.db2.gz DACSXFIENSLDQS-LLVKDONJSA-N 0 3 234.347 1.812 20 70 BDIDHN O=C([C@H]1CCCCN1)N1CCC2(CCC2)C1 ZINC000160620639 182634693 /nfs/dbraw/zinc/63/46/93/182634693.db2.gz JLXIEDIHDVBZMB-LLVKDONJSA-N 0 3 222.332 1.531 20 70 BDIDHN CCCC[C@H](COC)NC(=O)[C@@H](N)CC ZINC000161165951 169003797 /nfs/dbraw/zinc/00/37/97/169003797.db2.gz NLSYJCVAUJGSRH-ZJUUUORDSA-N 0 3 216.325 1.045 20 70 BDIDHN CC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000160416623 384411719 /nfs/dbraw/zinc/41/17/19/384411719.db2.gz VLCVXYVGUILGNK-JTQLQIEISA-N 0 3 247.298 1.247 20 70 BDIDHN C[C@@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160103238 384383990 /nfs/dbraw/zinc/38/39/90/384383990.db2.gz KLLPNBUAOVEAMU-DOMZBBRYSA-N 0 3 246.354 1.914 20 70 BDIDHN CCN(C)CCNC(=O)[C@@H](C)c1cccs1 ZINC000160149045 384387404 /nfs/dbraw/zinc/38/74/04/384387404.db2.gz JXNWITZYVQTYFR-JTQLQIEISA-N 0 3 240.372 1.920 20 70 BDIDHN C[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161048491 384457589 /nfs/dbraw/zinc/45/75/89/384457589.db2.gz PLVOWHBZIFBQMF-SSDOTTSWSA-N 0 3 224.308 1.284 20 70 BDIDHN CCCN1CCN(c2cc(C)ccn2)CC1 ZINC000161298186 384479484 /nfs/dbraw/zinc/47/94/84/384479484.db2.gz KUQAYXRUHSBOHV-UHFFFAOYSA-N 0 3 219.332 1.922 20 70 BDIDHN CC(C)OCCCN(C)[C@H]1CCCCNC1=O ZINC000160300089 384677299 /nfs/dbraw/zinc/67/72/99/384677299.db2.gz AMLIFOUMFNUDQT-LBPRGKRZSA-N 0 3 242.363 1.402 20 70 BDIDHN C[C@H](NC[C@H]1CCOC1)c1cscn1 ZINC000161166633 384865795 /nfs/dbraw/zinc/86/57/95/384865795.db2.gz UJQDFMDQXNGWNS-DTWKUNHWSA-N 0 3 212.318 1.830 20 70 BDIDHN CC[C@H](O)CCN[C@@H](C)c1ccncc1 ZINC000161237747 384942973 /nfs/dbraw/zinc/94/29/73/384942973.db2.gz DQKKQPUPJDLETI-JQWIXIFHSA-N 0 3 208.305 1.893 20 70 BDIDHN CCC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000161107964 385508291 /nfs/dbraw/zinc/50/82/91/385508291.db2.gz QRGMDKKMKSNOOS-MMWGEVLESA-N 0 3 240.347 1.044 20 70 BDIDHN C[C@@H](O)C(C)(C)NCc1ccc(CO)o1 ZINC000160625540 385685811 /nfs/dbraw/zinc/68/58/11/385685811.db2.gz MEUYTWXZRYCWNF-MRVPVSSYSA-N 0 3 213.277 1.021 20 70 BDIDHN C[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160904021 386539892 /nfs/dbraw/zinc/53/98/92/386539892.db2.gz ZRXMOHLCBMEDHS-NQBHXWOUSA-N 0 3 232.327 1.738 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161020387 388001368 /nfs/dbraw/zinc/00/13/68/388001368.db2.gz LUAMPLPTCPHPQA-FWWHASMVSA-N 0 3 240.253 1.284 20 70 BDIDHN C[C@@H](N[C@@H](C)CC(N)=O)c1ccsc1 ZINC000160671572 388083625 /nfs/dbraw/zinc/08/36/25/388083625.db2.gz ALXWBZDETFPLDW-JGVFFNPUSA-N 0 3 212.318 1.663 20 70 BDIDHN CSC[C@H](C)NCc1cn(C)nc1C ZINC000160151594 388048210 /nfs/dbraw/zinc/04/82/10/388048210.db2.gz MBMNDNVXBUGQRP-QMMMGPOBSA-N 0 3 213.350 1.570 20 70 BDIDHN CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccn2)C1 ZINC000159385499 168223151 /nfs/dbraw/zinc/22/31/51/168223151.db2.gz GHBNWFKWMJVDAC-NWDGAFQWSA-N 0 3 247.342 1.743 20 70 BDIDHN CCn1nccc1CN[C@](C)(CC)CO ZINC000160204376 172272311 /nfs/dbraw/zinc/27/23/11/172272311.db2.gz XPJRUUVIDRNPCR-LLVKDONJSA-N 0 3 211.309 1.154 20 70 BDIDHN CNCC(=O)N1CCCC[C@H]1CC(C)C ZINC000160874723 173326143 /nfs/dbraw/zinc/32/61/43/173326143.db2.gz IRKJDYPJOGOIGS-NSHDSACASA-N 0 3 212.337 1.633 20 70 BDIDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000161437618 175348771 /nfs/dbraw/zinc/34/87/71/175348771.db2.gz BKNMSFMGJHBIEH-WDEREUQCSA-N 0 3 248.326 1.358 20 70 BDIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(O)c1 ZINC000159655115 323042503 /nfs/dbraw/zinc/04/25/03/323042503.db2.gz XLKGOFQZLPRTTM-ZYHUDNBSSA-N 0 3 248.326 1.478 20 70 BDIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccc(O)c1 ZINC000159655257 323042572 /nfs/dbraw/zinc/04/25/72/323042572.db2.gz XLKGOFQZLPRTTM-CMPLNLGQSA-N 0 3 248.326 1.478 20 70 BDIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccc(O)c1 ZINC000159654811 323042578 /nfs/dbraw/zinc/04/25/78/323042578.db2.gz XLKGOFQZLPRTTM-PWSUYJOCSA-N 0 3 248.326 1.478 20 70 BDIDHN CC[C@H](N)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000159880157 323051871 /nfs/dbraw/zinc/05/18/71/323051871.db2.gz LTXZDXCRPYFNRZ-WYUUTHIRSA-N 0 3 224.348 1.903 20 70 BDIDHN COc1cccnc1N[C@@H](C)CN(C)C ZINC000160257476 323064501 /nfs/dbraw/zinc/06/45/01/323064501.db2.gz DVYVDPYKTDFSHI-VIFPVBQESA-N 0 3 209.293 1.452 20 70 BDIDHN C[C@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159788175 488088261 /nfs/dbraw/zinc/08/82/61/488088261.db2.gz CNMGKDTZBNTQOM-MVWJERBFSA-N 0 3 218.300 1.254 20 70 BDIDHN COc1cccc(CNC[C@@H](C)O)c1F ZINC000160462366 488135364 /nfs/dbraw/zinc/13/53/64/488135364.db2.gz UTLUUHWANBIJAD-MRVPVSSYSA-N 0 3 213.252 1.305 20 70 BDIDHN C[C@H](NCCN1CCCC1)c1cscn1 ZINC000161141677 538914715 /nfs/dbraw/zinc/91/47/15/538914715.db2.gz HBZNDMVUMZGIAA-JTQLQIEISA-N 0 3 225.361 1.890 20 70 BDIDHN Cc1cccc(C(=O)NC[C@H](C)N(C)C)c1F ZINC000161455088 349453319 /nfs/dbraw/zinc/45/33/19/349453319.db2.gz TZZYKOYDOGPQRU-JTQLQIEISA-N 0 3 238.306 1.814 20 70 BDIDHN CC[C@@H]1CO[C@@H](C)CN1C[C@@H](C)CO ZINC000160921643 538913147 /nfs/dbraw/zinc/91/31/47/538913147.db2.gz UHEOXWMCOKTZBR-OUAUKWLOSA-N 0 3 201.310 1.114 20 70 BDIDHN CC[C@@H]1CN(C(=O)CNC2CC2)CCS1 ZINC000159623307 343202542 /nfs/dbraw/zinc/20/25/42/343202542.db2.gz HEPHFKVMLFSFJF-SNVBAGLBSA-N 0 3 228.361 1.092 20 70 BDIDHN Cc1cccc([C@H](C)NC(=O)[C@@H](C)N)c1C ZINC000160834223 179194312 /nfs/dbraw/zinc/19/43/12/179194312.db2.gz YWQPWMKMHIHMSL-MNOVXSKESA-N 0 3 220.316 1.828 20 70 BDIDHN C[C@H](C(=O)N(C)[C@@H](C)CO)N1CCCCCC1 ZINC000160501703 348923729 /nfs/dbraw/zinc/92/37/29/348923729.db2.gz CPTZTMNTYQBCJM-NWDGAFQWSA-N 0 3 242.363 1.090 20 70 BDIDHN CC(C)CC[C@H](NC(=O)CN)C(C)(C)C ZINC000160071423 350632506 /nfs/dbraw/zinc/63/25/06/350632506.db2.gz WOKNOUSDSAWTBH-JTQLQIEISA-N 0 3 214.353 1.912 20 70 BDIDHN CCO[C@@H]1CCCN(CCn2ccnc2)C1 ZINC000159841200 538879659 /nfs/dbraw/zinc/87/96/59/538879659.db2.gz VOZCRQISVAZMCB-GFCCVEGCSA-N 0 3 223.320 1.384 20 70 BDIDHN COC[C@H](O)CNC/C=C\c1ccccc1 ZINC000217221819 134246593 /nfs/dbraw/zinc/24/65/93/134246593.db2.gz YSLASXYDVDLQSG-DMTLFAOVSA-N 0 3 221.300 1.297 20 70 BDIDHN C[C@H](O)[C@@H]1CCN(CCC(F)(F)F)C1 ZINC000159469995 361238086 /nfs/dbraw/zinc/23/80/86/361238086.db2.gz IMNDHCJTVPAVML-JGVFFNPUSA-N 0 3 211.227 1.642 20 70 BDIDHN C[C@@H](O)[C@@H]1CCN(CCC(F)(F)F)C1 ZINC000159470115 361238468 /nfs/dbraw/zinc/23/84/68/361238468.db2.gz IMNDHCJTVPAVML-HTQZYQBOSA-N 0 3 211.227 1.642 20 70 BDIDHN C[C@@]1(C(=O)Nc2nncs2)CCCCN1 ZINC000159546771 361251691 /nfs/dbraw/zinc/25/16/91/361251691.db2.gz VRQYVEOPYIPLFL-VIFPVBQESA-N 0 3 226.305 1.009 20 70 BDIDHN COC(=O)[C@H](C1CC1)N1CC[C@H](C(C)C)C1 ZINC000159600997 361260953 /nfs/dbraw/zinc/26/09/53/361260953.db2.gz OFWOMAMDOCNGDI-RYUDHWBXSA-N 0 3 225.332 1.916 20 70 BDIDHN C[C@H](CN(C)C)NCc1cncc(F)c1 ZINC000160129562 361300050 /nfs/dbraw/zinc/30/00/50/361300050.db2.gz AKDGXHNWSBTRLZ-SECBINFHSA-N 0 3 211.284 1.260 20 70 BDIDHN CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H]2C1)N(C)C ZINC000159423063 201680723 /nfs/dbraw/zinc/68/07/23/201680723.db2.gz RTPRALFUPUKOOO-UPJWGTAASA-N 0 3 238.375 1.831 20 70 BDIDHN C[C@@H](NCCO)c1cccc(N2CCCC2=O)c1 ZINC000159700542 384351710 /nfs/dbraw/zinc/35/17/10/384351710.db2.gz DYGFJOLNOVDFCS-LLVKDONJSA-N 0 3 248.326 1.456 20 70 BDIDHN C[C@H](c1ccccc1)[C@H](C)NC(=O)[C@H](C)N ZINC000160889399 384442617 /nfs/dbraw/zinc/44/26/17/384442617.db2.gz VMCVLWFZNCLSNO-DCAQKATOSA-N 0 3 220.316 1.642 20 70 BDIDHN Cc1nn(C)c(C)c1CN(C)C[C@@H]1CCOC1 ZINC000161057396 385021674 /nfs/dbraw/zinc/02/16/74/385021674.db2.gz FVEUJQKTGJNXQE-LBPRGKRZSA-N 0 3 237.347 1.505 20 70 BDIDHN CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)C12CCCC2 ZINC000161112040 385438777 /nfs/dbraw/zinc/43/87/77/385438777.db2.gz KJLQENRHMSEIHQ-GMTAPVOTSA-N 0 3 240.347 1.188 20 70 BDIDHN CC(C)CC1(CNC(=O)[C@H](C)N)CCC1 ZINC000160669741 386564061 /nfs/dbraw/zinc/56/40/61/386564061.db2.gz ZTVPKIOLTQAAAW-JTQLQIEISA-N 0 3 212.337 1.666 20 70 BDIDHN CC[C@H](NCCO)c1c(C)nn(C)c1C ZINC000159723549 388028318 /nfs/dbraw/zinc/02/83/18/388028318.db2.gz HLHQQEWNBUONBT-JTQLQIEISA-N 0 3 211.309 1.070 20 70 BDIDHN Cc1cnccc1CNCCOC(C)C ZINC000160606752 388078727 /nfs/dbraw/zinc/07/87/27/388078727.db2.gz LMTFSPWTKVRVHF-UHFFFAOYSA-N 0 3 208.305 1.905 20 70 BDIDHN Cc1c(CN[C@H]2CCCSC2)cnn1C ZINC000160163092 388049775 /nfs/dbraw/zinc/04/97/75/388049775.db2.gz KCIFASCSVRUFQT-NSHDSACASA-N 0 3 225.361 1.714 20 70 BDIDHN CCc1ncnc(NC[C@@H]2CCN(C)C2)c1F ZINC000218005490 172031645 /nfs/dbraw/zinc/03/16/45/172031645.db2.gz YZIPPHKTMSUKNY-VIFPVBQESA-N 0 3 238.310 1.542 20 70 BDIDHN CNCC(=O)N1CCCC[C@@H]1CC(C)C ZINC000160874852 173326699 /nfs/dbraw/zinc/32/66/99/173326699.db2.gz IRKJDYPJOGOIGS-LLVKDONJSA-N 0 3 212.337 1.633 20 70 BDIDHN CNCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C ZINC000161420314 173327534 /nfs/dbraw/zinc/32/75/34/173327534.db2.gz WDFPIPTWXDWCKJ-YPMHNXCESA-N 0 3 232.327 1.610 20 70 BDIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccc(O)c1 ZINC000159654962 323042584 /nfs/dbraw/zinc/04/25/84/323042584.db2.gz XLKGOFQZLPRTTM-JQWIXIFHSA-N 0 3 248.326 1.478 20 70 BDIDHN COc1ccc([C@H](C)NCCO)cc1Cl ZINC000159687902 323043816 /nfs/dbraw/zinc/04/38/16/323043816.db2.gz HJLLRCMCAOTIQD-QMMMGPOBSA-N 0 3 229.707 1.992 20 70 BDIDHN CN1CCC[C@H]1CNC(=O)NC1(C)CCC1 ZINC000160032690 323058264 /nfs/dbraw/zinc/05/82/64/323058264.db2.gz LAKOSTUOOCYYNP-JTQLQIEISA-N 0 3 225.336 1.322 20 70 BDIDHN CC(C)(C)CCCNC(=O)C[C@H]1CNCCO1 ZINC000160538915 323070296 /nfs/dbraw/zinc/07/02/96/323070296.db2.gz WFUBLBOFQGKSSB-NSHDSACASA-N 0 3 242.363 1.307 20 70 BDIDHN CC[C@@H](CCO)NCc1ccncc1Cl ZINC000217840898 324055542 /nfs/dbraw/zinc/05/55/42/324055542.db2.gz VSXUPYXGSUZYIB-JTQLQIEISA-N 0 3 228.723 1.986 20 70 BDIDHN CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)N ZINC000160132581 488108435 /nfs/dbraw/zinc/10/84/35/488108435.db2.gz YTSUWCIYLRYYMT-MFKMUULPSA-N 0 3 232.327 1.870 20 70 BDIDHN CC[C@@H](CSC)NCCS(=O)(=O)CC ZINC000217330044 589397720 /nfs/dbraw/zinc/39/77/20/589397720.db2.gz RZUFUGWUEGLNAC-VIFPVBQESA-N 0 3 239.406 1.152 20 70 BDIDHN C[C@@H](c1ccccn1)N(C)C[C@H](O)C1CC1 ZINC000160858912 538912933 /nfs/dbraw/zinc/91/29/33/538912933.db2.gz HWTOCGXMAASSBA-GWCFXTLKSA-N 0 3 220.316 1.845 20 70 BDIDHN OCC[C@@H](N[C@@H]1CCCOC1)c1ccccc1 ZINC000161064813 538913678 /nfs/dbraw/zinc/91/36/78/538913678.db2.gz UTMYJTMCQKRYNI-ZIAGYGMSSA-N 0 3 235.327 1.879 20 70 BDIDHN CC(C)C[C@@H](C)NC(=O)NC1CCN(C)CC1 ZINC000159565736 323037287 /nfs/dbraw/zinc/03/72/87/323037287.db2.gz PKRVCPINTWLERF-LLVKDONJSA-N 0 3 241.379 1.814 20 70 BDIDHN COC[C@H](C)CNCc1ncccc1C ZINC000159630604 323040885 /nfs/dbraw/zinc/04/08/85/323040885.db2.gz GKZIARLMMXVALF-SNVBAGLBSA-N 0 3 208.305 1.762 20 70 BDIDHN Cn1cncc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159673308 345464487 /nfs/dbraw/zinc/46/44/87/345464487.db2.gz UQLCEYRQKBGZJR-XQQFMLRXSA-N 0 3 247.342 1.467 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C ZINC000159881149 345582049 /nfs/dbraw/zinc/58/20/49/345582049.db2.gz JZEDQGPXBHPLOZ-AUTRQRHGSA-N 0 3 218.300 1.383 20 70 BDIDHN CN(Cc1cnc2ccccn12)C[C@@H]1CCOC1 ZINC000160965775 349344629 /nfs/dbraw/zinc/34/46/29/349344629.db2.gz YAMYFHFFYWWNAG-LBPRGKRZSA-N 0 3 245.326 1.803 20 70 BDIDHN Cc1nc2ccccn2c1CN1CC[C@H](O)C1 ZINC000160387695 180107479 /nfs/dbraw/zinc/10/74/79/180107479.db2.gz BNAVAFSJSJOESJ-NSHDSACASA-N 0 3 231.299 1.209 20 70 BDIDHN CC(C)[C@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159556218 361255093 /nfs/dbraw/zinc/25/50/93/361255093.db2.gz IRRSAGDAIVIKIF-JQWIXIFHSA-N 0 3 212.337 1.679 20 70 BDIDHN C[C@]1(C(=O)NCC(F)(F)F)CCCCN1 ZINC000159568226 361257162 /nfs/dbraw/zinc/25/71/62/361257162.db2.gz RKCVPWFTSUUWGM-MRVPVSSYSA-N 0 3 224.226 1.197 20 70 BDIDHN CSCCN[C@](C)(CO)c1ccccc1 ZINC000161276959 363885116 /nfs/dbraw/zinc/88/51/16/363885116.db2.gz XPKKNGAVZQIYAE-GFCCVEGCSA-N 0 3 225.357 1.847 20 70 BDIDHN CCCN1CCCN(C(=O)C(C)C)CC1 ZINC000160357368 169191733 /nfs/dbraw/zinc/19/17/33/169191733.db2.gz MTDSAXNPSAYZRV-UHFFFAOYSA-N 0 3 212.337 1.587 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159713672 384351482 /nfs/dbraw/zinc/35/14/82/384351482.db2.gz KGYYCANFZYVEPO-DRZSPHRISA-N 0 3 232.327 1.786 20 70 BDIDHN C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160902268 384446821 /nfs/dbraw/zinc/44/68/21/384446821.db2.gz ZRXMOHLCBMEDHS-MDZLAQPJSA-N 0 3 232.327 1.738 20 70 BDIDHN CC(C)(N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161258342 384476619 /nfs/dbraw/zinc/47/66/19/384476619.db2.gz DVWUWYNDFPXSKE-CYBMUJFWSA-N 0 3 246.354 1.861 20 70 BDIDHN CCC[C@@H](O)CNCc1cnccc1C ZINC000217742558 387286198 /nfs/dbraw/zinc/28/61/98/387286198.db2.gz OSUNFVNHNKHPTH-GFCCVEGCSA-N 0 3 208.305 1.641 20 70 BDIDHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)N)C12CCCC2 ZINC000161110653 388429125 /nfs/dbraw/zinc/42/91/25/388429125.db2.gz KJLQENRHMSEIHQ-HBNTYKKESA-N 0 3 240.347 1.188 20 70 BDIDHN C[C@@H]1CN(C[C@@H](O)C(C)(C)C)[C@@H](C)CO1 ZINC000216917866 134177961 /nfs/dbraw/zinc/17/79/61/134177961.db2.gz OKPGZNIURXWUMZ-HBNTYKKESA-N 0 3 215.337 1.503 20 70 BDIDHN CCCN(CC)CCNC(=O)CCC(C)=O ZINC000217917475 134250963 /nfs/dbraw/zinc/25/09/63/134250963.db2.gz VTGZFBCRYLJHCZ-UHFFFAOYSA-N 0 3 228.336 1.204 20 70 BDIDHN CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@@H]2C1)N(C)C ZINC000159422909 134774343 /nfs/dbraw/zinc/77/43/43/134774343.db2.gz RTPRALFUPUKOOO-XQQFMLRXSA-N 0 3 238.375 1.831 20 70 BDIDHN C[C@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159645309 134783058 /nfs/dbraw/zinc/78/30/58/134783058.db2.gz QXPJIXXKEQZAQL-FZMZJTMJSA-N 0 3 248.326 1.108 20 70 BDIDHN C[C@@H](O)C(C)(C)NCc1cncs1 ZINC000160597617 398043043 /nfs/dbraw/zinc/04/30/43/398043043.db2.gz MEHJLUBSBKZMCW-SSDOTTSWSA-N 0 3 200.307 1.392 20 70 BDIDHN CCC(=O)N[C@H]1CCCN(C[C@](C)(O)CC)C1 ZINC000160758204 168240553 /nfs/dbraw/zinc/24/05/53/168240553.db2.gz WDIRJGYFOOUBQI-WCQYABFASA-N 0 3 242.363 1.138 20 70 BDIDHN C[C@H]1C[C@H](C)N(Cc2cnc(N)s2)C1 ZINC000161298497 177359378 /nfs/dbraw/zinc/35/93/78/177359378.db2.gz KUBIDTKLKSNXQK-YUMQZZPRSA-N 0 3 211.334 1.956 20 70 BDIDHN CCN(C)C(=O)c1ccc(CN(C)C)cc1 ZINC000159920657 323054038 /nfs/dbraw/zinc/05/40/38/323054038.db2.gz CLFGIGXIACACJW-UHFFFAOYSA-N 0 3 220.316 1.840 20 70 BDIDHN CC[C@H]1c2ccccc2CCN1C(=O)[C@H](C)N ZINC000160132258 488108425 /nfs/dbraw/zinc/10/84/25/488108425.db2.gz YTSUWCIYLRYYMT-GWCFXTLKSA-N 0 3 232.327 1.870 20 70 BDIDHN CO[C@@H]1CCC[C@H]1NCc1ccc(N(C)C)nc1 ZINC000161231102 487485007 /nfs/dbraw/zinc/48/50/07/487485007.db2.gz BTWJOTWFEKMLIY-CHWSQXEVSA-N 0 3 249.358 1.805 20 70 BDIDHN COc1cccc(CNC[C@H](C)O)c1F ZINC000160462223 488135337 /nfs/dbraw/zinc/13/53/37/488135337.db2.gz UTLUUHWANBIJAD-QMMMGPOBSA-N 0 3 213.252 1.305 20 70 BDIDHN CN(C)CCNC(=O)NCC1CCCC1 ZINC000217573896 535883194 /nfs/dbraw/zinc/88/31/94/535883194.db2.gz IUCIDAUGDCMYKE-UHFFFAOYSA-N 0 3 213.325 1.037 20 70 BDIDHN C[C@H]1C[C@H](C)CN(CCCCS(C)(=O)=O)C1 ZINC000161085535 538913933 /nfs/dbraw/zinc/91/39/33/538913933.db2.gz YOQDXYIQMNCWGT-RYUDHWBXSA-N 0 3 247.404 1.789 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161394588 398270944 /nfs/dbraw/zinc/27/09/44/398270944.db2.gz XYZZASBPRKZXDO-KOLCDFICSA-N 0 3 248.326 1.752 20 70 BDIDHN C[C@H](NC1CCN(C)CC1)c1cscn1 ZINC000161145606 398344817 /nfs/dbraw/zinc/34/48/17/398344817.db2.gz KYJSALBUSZJJHZ-VIFPVBQESA-N 0 3 225.361 1.888 20 70 BDIDHN C[C@@H]1CN(CCn2ccnc2)C[C@H](C)S1 ZINC000159852983 323050830 /nfs/dbraw/zinc/05/08/30/323050830.db2.gz KRXFUGZWCOKQDR-PHIMTYICSA-N 0 3 225.361 1.709 20 70 BDIDHN c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n[nH]1 ZINC000159611403 345445610 /nfs/dbraw/zinc/44/56/10/345445610.db2.gz FMIMDKLHTQEZSN-TUAOUCFPSA-N 0 3 233.315 1.457 20 70 BDIDHN Cc1cccc([C@H]2CCCN2CCCO)n1 ZINC000159781376 345529879 /nfs/dbraw/zinc/52/98/79/345529879.db2.gz FJGYYPLEVMXUBK-CYBMUJFWSA-N 0 3 220.316 1.909 20 70 BDIDHN CC(C)C1CCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000161271706 349413546 /nfs/dbraw/zinc/41/35/46/349413546.db2.gz HMKRLUIAZNGTJR-CYBMUJFWSA-N 0 3 242.338 1.583 20 70 BDIDHN C[C@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000159858411 351014173 /nfs/dbraw/zinc/01/41/73/351014173.db2.gz UGRNLCVBIYIZED-NSHDSACASA-N 0 3 224.348 1.907 20 70 BDIDHN C[C@H](CO)CN1CCC[C@H](C(F)(F)F)C1 ZINC000160906556 538456118 /nfs/dbraw/zinc/45/61/18/538456118.db2.gz RUUSXRIFVXZELD-IUCAKERBSA-N 0 3 225.254 1.889 20 70 BDIDHN C[C@@H]1CN(C[C@@H](O)C(C)(C)C)C[C@@H](C)O1 ZINC000216877297 134159529 /nfs/dbraw/zinc/15/95/29/134159529.db2.gz TUFIRUMWWJASQU-GMTAPVOTSA-N 0 3 215.337 1.503 20 70 BDIDHN NC1(C(=O)NCCc2cc3ccccc3o2)CC1 ZINC000160485771 181326399 /nfs/dbraw/zinc/32/63/99/181326399.db2.gz GZDUEKSTJSGJNN-UHFFFAOYSA-N 0 3 244.294 1.583 20 70 BDIDHN C[C@H](NC(=O)[C@]1(C)CCCCN1)C1CC1 ZINC000159558344 361254980 /nfs/dbraw/zinc/25/49/80/361254980.db2.gz PPBHOKKCAQRIBE-CABZTGNLSA-N 0 3 210.321 1.433 20 70 BDIDHN CCc1ncc(CN[C@@H](C)CC(N)=O)s1 ZINC000160797984 361328068 /nfs/dbraw/zinc/32/80/68/361328068.db2.gz SVXYPGYWZRZPNW-ZETCQYMHSA-N 0 3 227.333 1.059 20 70 BDIDHN CCCC[C@H](COC)NC(=O)[C@@H](N)C(C)C ZINC000161166994 169003708 /nfs/dbraw/zinc/00/37/08/169003708.db2.gz VDGIGSJVTZBZJZ-MNOVXSKESA-N 0 3 230.352 1.291 20 70 BDIDHN CCCN1CCCN(C(=O)[C@H](C)OCC)CC1 ZINC000160395936 169192656 /nfs/dbraw/zinc/19/26/56/169192656.db2.gz JEGUPUAJRFNTAU-LBPRGKRZSA-N 0 3 242.363 1.356 20 70 BDIDHN CCN(C)CCNC(=O)CCCn1cccc1 ZINC000159523096 384338054 /nfs/dbraw/zinc/33/80/54/384338054.db2.gz NQLZKGVHQHJGSL-UHFFFAOYSA-N 0 3 237.347 1.336 20 70 BDIDHN Cc1ccc(CN2CCC(CC(N)=O)CC2)o1 ZINC000159749580 384354707 /nfs/dbraw/zinc/35/47/07/384354707.db2.gz KZAAQSCXUXRBDF-UHFFFAOYSA-N 0 3 236.315 1.675 20 70 BDIDHN CN1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000159955723 384371852 /nfs/dbraw/zinc/37/18/52/384371852.db2.gz YOBBRZGGOJZMSA-UHFFFAOYSA-N 0 3 234.299 1.673 20 70 BDIDHN C[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161048049 384401255 /nfs/dbraw/zinc/40/12/55/384401255.db2.gz PLVOWHBZIFBQMF-ZETCQYMHSA-N 0 3 224.308 1.284 20 70 BDIDHN C[C@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160102023 384384905 /nfs/dbraw/zinc/38/49/05/384384905.db2.gz KLLPNBUAOVEAMU-SWLSCSKDSA-N 0 3 246.354 1.914 20 70 BDIDHN CCN(C)CCNC(=O)[C@H](C)c1cccs1 ZINC000160149190 384387513 /nfs/dbraw/zinc/38/75/13/384387513.db2.gz JXNWITZYVQTYFR-SNVBAGLBSA-N 0 3 240.372 1.920 20 70 BDIDHN C[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160902634 384445659 /nfs/dbraw/zinc/44/56/59/384445659.db2.gz ZRXMOHLCBMEDHS-GMXVVIOVSA-N 0 3 232.327 1.738 20 70 BDIDHN CC(C)[C@H](O)CN[C@@H](C)c1ccncc1 ZINC000161234506 384944294 /nfs/dbraw/zinc/94/42/94/384944294.db2.gz DOSRMNSFKWEAIU-CMPLNLGQSA-N 0 3 208.305 1.749 20 70 BDIDHN CC(C)C1CCN(C(=O)C2(N)CC2)CC1 ZINC000161267231 385630606 /nfs/dbraw/zinc/63/06/06/385630606.db2.gz ZWXSTJKJYRWSJI-UHFFFAOYSA-N 0 3 210.321 1.372 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000160891029 386427040 /nfs/dbraw/zinc/42/70/40/386427040.db2.gz VMCVLWFZNCLSNO-AXFHLTTASA-N 0 3 220.316 1.642 20 70 BDIDHN CCOCCCN1C[C@H](C)OC(C)(C)C1 ZINC000159667540 388026251 /nfs/dbraw/zinc/02/62/51/388026251.db2.gz XMUUVLUCOMVWCV-NSHDSACASA-N 0 3 215.337 1.912 20 70 BDIDHN CCN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1 ZINC000218002520 134251497 /nfs/dbraw/zinc/25/14/97/134251497.db2.gz NOAKVFOXQRQROA-UWVGGRQHSA-N 0 3 213.325 1.130 20 70 BDIDHN CC(C)CC1(CNC(=O)[C@@H](C)N)CCC1 ZINC000160671548 166782537 /nfs/dbraw/zinc/78/25/37/166782537.db2.gz ZTVPKIOLTQAAAW-SNVBAGLBSA-N 0 3 212.337 1.666 20 70 BDIDHN CCN[C@@H](C)C(=O)NCCCc1ccccc1 ZINC000218356036 411807891 /nfs/dbraw/zinc/80/78/91/411807891.db2.gz TYNGMZAMYDFLKX-LBPRGKRZSA-N 0 3 234.343 1.733 20 70 BDIDHN CC[C@H](C)[C@@H](N)C(=O)NCC1(C)CCC1 ZINC000160830286 171371607 /nfs/dbraw/zinc/37/16/07/171371607.db2.gz ZVXFGZZXKVOEGI-VHSXEESVSA-N 0 3 212.337 1.666 20 70 BDIDHN CCc1ncnc(NCCN(C)CC)c1F ZINC000217992340 172031873 /nfs/dbraw/zinc/03/18/73/172031873.db2.gz GEGSFLWDVJLIHC-UHFFFAOYSA-N 0 3 226.299 1.542 20 70 BDIDHN CNCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C ZINC000161420447 173328221 /nfs/dbraw/zinc/32/82/21/173328221.db2.gz WDFPIPTWXDWCKJ-AAEUAGOBSA-N 0 3 232.327 1.610 20 70 BDIDHN C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160903891 177375196 /nfs/dbraw/zinc/37/51/96/177375196.db2.gz ZRXMOHLCBMEDHS-LOWVWBTDSA-N 0 3 232.327 1.738 20 70 BDIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cncs1 ZINC000159538660 323035941 /nfs/dbraw/zinc/03/59/41/323035941.db2.gz NVVAXINXUMBKQP-IUCAKERBSA-N 0 3 239.344 1.229 20 70 BDIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCC1CC1 ZINC000159579051 323038467 /nfs/dbraw/zinc/03/84/67/323038467.db2.gz NDMOZWBPQONZGM-STQMWFEESA-N 0 3 236.359 1.777 20 70 BDIDHN CCCCN(C)CCCCS(C)(=O)=O ZINC000161086801 538914021 /nfs/dbraw/zinc/91/40/21/538914021.db2.gz VQSHBIUDFJXMHU-UHFFFAOYSA-N 0 3 221.366 1.543 20 70 BDIDHN Cc1ccc([C@H](C)CNC(=O)[C@H](C)N)cc1 ZINC000161168410 398167656 /nfs/dbraw/zinc/16/76/56/398167656.db2.gz XROWEUWUEBZEJO-MNOVXSKESA-N 0 3 220.316 1.562 20 70 BDIDHN CC(C)(O)CNCc1cc(F)cc(F)c1 ZINC000161038396 187359488 /nfs/dbraw/zinc/35/94/88/187359488.db2.gz PWAJTISQTMSOQZ-UHFFFAOYSA-N 0 3 215.243 1.825 20 70 BDIDHN C[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159726899 345503170 /nfs/dbraw/zinc/50/31/70/345503170.db2.gz YVZHUXYMUXXLFU-ONGXEEELSA-N 0 3 218.300 1.180 20 70 BDIDHN CCCN1CCCN(C(=O)CCCOC)CC1 ZINC000160381271 347854257 /nfs/dbraw/zinc/85/42/57/347854257.db2.gz BKLFKBOFVBAFHT-UHFFFAOYSA-N 0 3 242.363 1.357 20 70 BDIDHN CCc1nnc(C[NH2+][C@H](C)C2CCOCC2)[n-]1 ZINC000160465456 348601375 /nfs/dbraw/zinc/60/13/75/348601375.db2.gz UGRHIWVWOLLGKL-SECBINFHSA-N 0 3 238.335 1.272 20 70 BDIDHN CCc1nnc(CN[C@H](C)C2CCOCC2)[nH]1 ZINC000160465456 348601379 /nfs/dbraw/zinc/60/13/79/348601379.db2.gz UGRHIWVWOLLGKL-SECBINFHSA-N 0 3 238.335 1.272 20 70 BDIDHN CCCO[C@H]1CCCN(CC(OC)OC)CC1 ZINC000161026898 349363869 /nfs/dbraw/zinc/36/38/69/349363869.db2.gz GPGUQBCOCHYCFY-LBPRGKRZSA-N 0 3 245.363 1.886 20 70 BDIDHN CCN(C)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000160713060 357287264 /nfs/dbraw/zinc/28/72/64/357287264.db2.gz WVSBNCHDPLDCDQ-NSHDSACASA-N 0 3 225.336 1.132 20 70 BDIDHN CC(C)(C)CNC(=O)[C@@]1(C)CCCCN1 ZINC000159563792 361255634 /nfs/dbraw/zinc/25/56/34/361255634.db2.gz RKVOHQPALMFKPH-GFCCVEGCSA-N 0 3 212.337 1.681 20 70 BDIDHN C[C@@]1(C(=O)NCC(F)(F)F)CCCCN1 ZINC000159568371 361257038 /nfs/dbraw/zinc/25/70/38/361257038.db2.gz RKCVPWFTSUUWGM-QMMMGPOBSA-N 0 3 224.226 1.197 20 70 BDIDHN CSCCN[C@@](C)(CO)c1ccccc1 ZINC000161277077 363885297 /nfs/dbraw/zinc/88/52/97/363885297.db2.gz XPKKNGAVZQIYAE-LBPRGKRZSA-N 0 3 225.357 1.847 20 70 BDIDHN CCCN(CCO)Cc1ccc(N(C)C)nc1 ZINC000161231954 541356769 /nfs/dbraw/zinc/35/67/69/541356769.db2.gz GXJNUIRRLQZIMM-UHFFFAOYSA-N 0 3 237.347 1.352 20 70 BDIDHN C[C@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159645159 384348768 /nfs/dbraw/zinc/34/87/68/384348768.db2.gz QXPJIXXKEQZAQL-SMDDNHRTSA-N 0 3 248.326 1.108 20 70 BDIDHN C[C@H](N)C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000160118842 384384514 /nfs/dbraw/zinc/38/45/14/384384514.db2.gz ONYCJMGVRIGEFX-GXFFZTMASA-N 0 3 232.327 1.350 20 70 BDIDHN CC(=O)c1cnc(NC(=O)[C@H](N)C(C)C)s1 ZINC000161087575 384460304 /nfs/dbraw/zinc/46/03/04/384460304.db2.gz LQLXETMCNXSVPI-MRVPVSSYSA-N 0 3 241.316 1.268 20 70 BDIDHN COC(C)(C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000160966954 384483211 /nfs/dbraw/zinc/48/32/11/384483211.db2.gz ZUWGDPWHVBKDDR-MNOVXSKESA-N 0 3 242.363 1.448 20 70 BDIDHN C[C@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161075371 384539905 /nfs/dbraw/zinc/53/99/05/384539905.db2.gz LNBZNRVKCPZCMS-NSHDSACASA-N 0 3 234.343 1.719 20 70 BDIDHN CSC[C@@H](C)NCc1cn(C)nc1C ZINC000160151722 385974557 /nfs/dbraw/zinc/97/45/57/385974557.db2.gz MBMNDNVXBUGQRP-MRVPVSSYSA-N 0 3 213.350 1.570 20 70 BDIDHN CCOCCCN1CCN(C2CC2)CC1 ZINC000159719649 388028592 /nfs/dbraw/zinc/02/85/92/388028592.db2.gz PEHUGBSBLIYWLD-UHFFFAOYSA-N 0 3 212.337 1.193 20 70 BDIDHN CSC[C@H](CCO)N[C@H](C)c1cncs1 ZINC000160232502 388054428 /nfs/dbraw/zinc/05/44/28/388054428.db2.gz KHMPKBFZXKZUGK-BDAKNGLRSA-N 0 3 246.401 1.908 20 70 BDIDHN CC[C@H](CCO)NCc1ccnn1CC ZINC000160641678 388081009 /nfs/dbraw/zinc/08/10/09/388081009.db2.gz BPKHBCMNHVXKRP-SNVBAGLBSA-N 0 3 211.309 1.154 20 70 BDIDHN CC(C)[C@H](O)CN[C@H](C)c1ccccn1 ZINC000160892226 388099036 /nfs/dbraw/zinc/09/90/36/388099036.db2.gz XSSZXSAIMVQCNM-ZYHUDNBSSA-N 0 3 208.305 1.749 20 70 BDIDHN CCC[C@H](O)CNCc1cnccc1C ZINC000217742638 388572930 /nfs/dbraw/zinc/57/29/30/388572930.db2.gz OSUNFVNHNKHPTH-LBPRGKRZSA-N 0 3 208.305 1.641 20 70 BDIDHN CC[C@H](N)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000159880454 323051829 /nfs/dbraw/zinc/05/18/29/323051829.db2.gz LTXZDXCRPYFNRZ-RHYQMDGZSA-N 0 3 224.348 1.903 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159788779 488088011 /nfs/dbraw/zinc/08/80/11/488088011.db2.gz CNMGKDTZBNTQOM-YUSALJHKSA-N 0 3 218.300 1.254 20 70 BDIDHN CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C)N ZINC000160132431 488108793 /nfs/dbraw/zinc/10/87/93/488108793.db2.gz YTSUWCIYLRYYMT-ZWNOBZJWSA-N 0 3 232.327 1.870 20 70 BDIDHN CCc1nc(CN(C(C)C)C(C)C)n[nH]1 ZINC000160236074 538109787 /nfs/dbraw/zinc/10/97/87/538109787.db2.gz VTOPKQOXMFZBAE-UHFFFAOYSA-N 0 3 210.325 1.986 20 70 BDIDHN Cc1ccc([C@@H](C)CNC(=O)[C@H](C)N)cc1 ZINC000161168335 398167745 /nfs/dbraw/zinc/16/77/45/398167745.db2.gz XROWEUWUEBZEJO-QWRGUYRKSA-N 0 3 220.316 1.562 20 70 BDIDHN Cc1nccc(N(C)[C@H]2CCN(C)C[C@@H]2C)n1 ZINC000160425967 187301386 /nfs/dbraw/zinc/30/13/86/187301386.db2.gz RJIMKIQSMSROJJ-JQWIXIFHSA-N 0 3 234.347 1.561 20 70 BDIDHN CCCO[C@@H]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000159470412 345436931 /nfs/dbraw/zinc/43/69/31/345436931.db2.gz FJMLXALQXVTTIX-GHMZBOCLSA-N 0 3 228.336 1.141 20 70 BDIDHN CC[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000159568960 345443877 /nfs/dbraw/zinc/44/38/77/345443877.db2.gz MWJVSAOLBFKTNM-AAEUAGOBSA-N 0 3 242.338 1.727 20 70 BDIDHN CCC[C@H](N)C(=O)N1CCOC[C@H]1CC(C)C ZINC000159630665 345447126 /nfs/dbraw/zinc/44/71/26/345447126.db2.gz OADUACCBNHAFGF-NEPJUHHUSA-N 0 3 242.363 1.387 20 70 BDIDHN CSCC[C@@H](C)N(C)C(=O)[C@]1(F)CCNC1 ZINC000159723227 345496216 /nfs/dbraw/zinc/49/62/16/345496216.db2.gz XJKZXFCOSSVOED-KOLCDFICSA-N 0 3 248.367 1.288 20 70 BDIDHN CC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159730563 345472638 /nfs/dbraw/zinc/47/26/38/345472638.db2.gz UUBJEJFFKYNARC-WCQYABFASA-N 0 3 232.327 1.570 20 70 BDIDHN CC[C@H](NCCCO)c1ccc(F)cn1 ZINC000161312141 346168512 /nfs/dbraw/zinc/16/85/12/346168512.db2.gz KLPRLGMHNDNSIM-JTQLQIEISA-N 0 3 212.268 1.644 20 70 BDIDHN CCc1nn(C)cc1CN[C@H](C)CSC ZINC000161396756 346179625 /nfs/dbraw/zinc/17/96/25/346179625.db2.gz MURBSJRSHNKNDF-SECBINFHSA-N 0 3 227.377 1.824 20 70 BDIDHN CCOC(=O)CCCN(C)C[C@H]1CCCO1 ZINC000160970878 349360468 /nfs/dbraw/zinc/36/04/68/349360468.db2.gz QIROLWCRQPIIPO-LLVKDONJSA-N 0 3 229.320 1.441 20 70 BDIDHN CC(C)[C@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000161404839 188047409 /nfs/dbraw/zinc/04/74/09/188047409.db2.gz BQPOQUGZGWCXGT-LBPRGKRZSA-N 0 3 242.363 1.245 20 70 BDIDHN C[C@@]1(C(=O)NCC2CCC2)CCCCN1 ZINC000159567252 361256791 /nfs/dbraw/zinc/25/67/91/361256791.db2.gz WBLDWNKOLFDZST-LBPRGKRZSA-N 0 3 210.321 1.435 20 70 BDIDHN Oc1cc(F)cc(CN[C@@H]2CCOC2)c1 ZINC000159609247 361266419 /nfs/dbraw/zinc/26/64/19/361266419.db2.gz MQGOXFFVRAGVPR-SNVBAGLBSA-N 0 3 211.236 1.410 20 70 BDIDHN Oc1cc(F)cc(CN[C@H]2CCOC2)c1 ZINC000159609378 361266537 /nfs/dbraw/zinc/26/65/37/361266537.db2.gz MQGOXFFVRAGVPR-JTQLQIEISA-N 0 3 211.236 1.410 20 70 BDIDHN CCc1ncc(CN[C@H](C)CC(N)=O)s1 ZINC000160798104 361328135 /nfs/dbraw/zinc/32/81/35/361328135.db2.gz SVXYPGYWZRZPNW-SSDOTTSWSA-N 0 3 227.333 1.059 20 70 BDIDHN CCCN(CCO)Cc1cccc2c1OCO2 ZINC000161207613 169167336 /nfs/dbraw/zinc/16/73/36/169167336.db2.gz LDLASNZEDMLHIC-UHFFFAOYSA-N 0 3 237.299 1.620 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159720727 384351898 /nfs/dbraw/zinc/35/18/98/384351898.db2.gz KGYYCANFZYVEPO-WXHSDQCUSA-N 0 3 232.327 1.786 20 70 BDIDHN CC[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000161049010 384458237 /nfs/dbraw/zinc/45/82/37/384458237.db2.gz CPGXWIICOHTTAK-VIFPVBQESA-N 0 3 238.335 1.674 20 70 BDIDHN CC(C)n1cc2cc(NC(=O)[C@H](C)N)ccc2n1 ZINC000160068223 384601471 /nfs/dbraw/zinc/60/14/71/384601471.db2.gz KBZPSYZKGOUNRA-VIFPVBQESA-N 0 3 246.314 1.903 20 70 BDIDHN C[C@H](O)CC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159604743 388023264 /nfs/dbraw/zinc/02/32/64/388023264.db2.gz IBWUNOMVNBJWNQ-QMMMGPOBSA-N 0 3 213.252 1.392 20 70 BDIDHN C[C@H]1CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000159574830 411306589 /nfs/dbraw/zinc/30/65/89/411306589.db2.gz MKNRXMQKQRSVJC-CMPLNLGQSA-N 0 3 210.321 1.387 20 70 BDIDHN CCc1ncnc(NC[C@H]2CCCN2C)c1F ZINC000217991342 172032146 /nfs/dbraw/zinc/03/21/46/172032146.db2.gz ZUHLDGLZVMZLPQ-SECBINFHSA-N 0 3 238.310 1.684 20 70 BDIDHN CNCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C ZINC000159885884 173328078 /nfs/dbraw/zinc/32/80/78/173328078.db2.gz KIQWFFWHLMZHRP-STQMWFEESA-N 0 3 246.354 1.919 20 70 BDIDHN COc1ccccc1[C@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000161437769 175354253 /nfs/dbraw/zinc/35/42/53/175354253.db2.gz BKNMSFMGJHBIEH-MNOVXSKESA-N 0 3 248.326 1.358 20 70 BDIDHN COc1ccccc1[C@H]1CCN(C(=O)[C@H](C)N)C1 ZINC000161437489 175354337 /nfs/dbraw/zinc/35/43/37/175354337.db2.gz BKNMSFMGJHBIEH-QWRGUYRKSA-N 0 3 248.326 1.358 20 70 BDIDHN C[C@@H]1C[C@H](C)N(Cc2cnc(N)s2)C1 ZINC000161298393 177316906 /nfs/dbraw/zinc/31/69/06/177316906.db2.gz KUBIDTKLKSNXQK-SFYZADRCSA-N 0 3 211.334 1.956 20 70 BDIDHN CC(C)C[C@@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000159710369 323044432 /nfs/dbraw/zinc/04/44/32/323044432.db2.gz BXCQTDOJEFVKII-NEPJUHHUSA-N 0 3 241.379 1.814 20 70 BDIDHN CC[C@H](C(=O)N[C@@H](C)C1CCOCC1)N(C)C ZINC000160760280 323106115 /nfs/dbraw/zinc/10/61/15/323106115.db2.gz LGBLAUMPKCURMP-CMPLNLGQSA-N 0 3 242.363 1.258 20 70 BDIDHN Cn1cnnc1CN1CCC[C@H]1C1CCCC1 ZINC000160830396 323136677 /nfs/dbraw/zinc/13/66/77/323136677.db2.gz AVSJXZISWDAZOM-LBPRGKRZSA-N 0 3 234.347 1.970 20 70 BDIDHN C[C@H](N[C@@H]1CCCN(C)C1)c1cscn1 ZINC000161161935 538914703 /nfs/dbraw/zinc/91/47/03/538914703.db2.gz IXVQPHXMVBPYLN-VHSXEESVSA-N 0 3 225.361 1.888 20 70 BDIDHN COC(CN1CCS[C@@H]2CCCC[C@@H]21)OC ZINC000161494518 349465503 /nfs/dbraw/zinc/46/55/03/349465503.db2.gz KFSJNJXKRPYWKK-WDEREUQCSA-N 0 3 245.388 1.965 20 70 BDIDHN CC[C@@H](NCCOC)c1ccc(F)cn1 ZINC000161303754 346168054 /nfs/dbraw/zinc/16/80/54/346168054.db2.gz DMGMSGDBQLZFOA-SNVBAGLBSA-N 0 3 212.268 1.908 20 70 BDIDHN Cc1cccc([C@@H](C)NC(=O)[C@@H](C)N)c1C ZINC000160834104 179180397 /nfs/dbraw/zinc/18/03/97/179180397.db2.gz YWQPWMKMHIHMSL-GHMZBOCLSA-N 0 3 220.316 1.828 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F ZINC000161018885 349362732 /nfs/dbraw/zinc/36/27/32/349362732.db2.gz LUAMPLPTCPHPQA-BYULHYEWSA-N 0 3 240.253 1.284 20 70 BDIDHN COC[C@H](NCc1cn2ccccc2n1)C1CC1 ZINC000159442322 538108294 /nfs/dbraw/zinc/10/82/94/538108294.db2.gz KIVWRWREZZHHPK-ZDUSSCGKSA-N 0 3 245.326 1.849 20 70 BDIDHN CCC[C@H](O)CNCc1ccnc(C)n1 ZINC000217747072 134249311 /nfs/dbraw/zinc/24/93/11/134249311.db2.gz VRIKJVOAECXTPJ-NSHDSACASA-N 0 3 209.293 1.036 20 70 BDIDHN CC[C@H](C)N(C)CCNC(=O)CCC(C)=O ZINC000217918197 134251228 /nfs/dbraw/zinc/25/12/28/134251228.db2.gz SESVOUZSTSPNCK-JTQLQIEISA-N 0 3 228.336 1.202 20 70 BDIDHN OCC1(NCc2cc(O)cc(F)c2)CC1 ZINC000159626059 361272377 /nfs/dbraw/zinc/27/23/77/361272377.db2.gz ALWDHZVGVHFJBE-UHFFFAOYSA-N 0 3 211.236 1.146 20 70 BDIDHN NCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159715055 181355040 /nfs/dbraw/zinc/35/50/40/181355040.db2.gz LRDUUWQVZADGHI-NEPJUHHUSA-N 0 3 218.300 1.398 20 70 BDIDHN OCCN[C@@H]1CCSc2ccc(F)cc21 ZINC000159672355 183079462 /nfs/dbraw/zinc/07/94/62/183079462.db2.gz WXLIAYQKNRZHJX-SNVBAGLBSA-N 0 3 227.304 1.945 20 70 BDIDHN CCCN1CCCN(C(=O)[C@H](C)SC)CC1 ZINC000160394992 169193420 /nfs/dbraw/zinc/19/34/20/169193420.db2.gz ZQEUYYGICKRNGI-NSHDSACASA-N 0 3 244.404 1.682 20 70 BDIDHN CC[C@@H](CSC)NCc1cc(C)nn1C ZINC000217330741 384139445 /nfs/dbraw/zinc/13/94/45/384139445.db2.gz RMHGUWWDLNIDHE-JTQLQIEISA-N 0 3 227.377 1.960 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159717755 384350981 /nfs/dbraw/zinc/35/09/81/384350981.db2.gz KGYYCANFZYVEPO-RTXFEEFZSA-N 0 3 232.327 1.786 20 70 BDIDHN CC[C@@H]1CN(C[C@](C)(O)CC)C[C@H](C)O1 ZINC000161056292 384461524 /nfs/dbraw/zinc/46/15/24/384461524.db2.gz RZMSSWBCTMDXHK-QJPTWQEYSA-N 0 3 215.337 1.647 20 70 BDIDHN CC(C)OCCCN(C)[C@@H]1CCCCNC1=O ZINC000160299955 384674976 /nfs/dbraw/zinc/67/49/76/384674976.db2.gz AMLIFOUMFNUDQT-GFCCVEGCSA-N 0 3 242.363 1.402 20 70 BDIDHN C[C@@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000160587849 386254582 /nfs/dbraw/zinc/25/45/82/386254582.db2.gz KFXIOHVAANMOLL-SSDOTTSWSA-N 0 3 224.691 1.576 20 70 BDIDHN C[C@H](CCC(C)(C)C)NC(=O)[C@H](C)N ZINC000161228939 386611572 /nfs/dbraw/zinc/61/15/72/386611572.db2.gz RMEFQVHMVTVQOJ-BDAKNGLRSA-N 0 3 200.326 1.665 20 70 BDIDHN C[C@H](NCCC(C)(C)O)c1cnn(C)c1 ZINC000159842235 388034147 /nfs/dbraw/zinc/03/41/47/388034147.db2.gz VWBDDLNEGZBMQX-VIFPVBQESA-N 0 3 211.309 1.232 20 70 BDIDHN CCc1nnc(C[NH2+][C@H](C)[C@@H](C)CC)[n-]1 ZINC000160454072 388067611 /nfs/dbraw/zinc/06/76/11/388067611.db2.gz YCRUXUQLWCNSHX-DTWKUNHWSA-N 0 3 210.325 1.891 20 70 BDIDHN CCc1nnc(CN[C@H](C)[C@@H](C)CC)[nH]1 ZINC000160454072 388067615 /nfs/dbraw/zinc/06/76/15/388067615.db2.gz YCRUXUQLWCNSHX-DTWKUNHWSA-N 0 3 210.325 1.891 20 70 BDIDHN CC(C)C[C@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000160793230 398054957 /nfs/dbraw/zinc/05/49/57/398054957.db2.gz FGOULWFDZZDYNL-VXGBXAGGSA-N 0 3 244.379 1.096 20 70 BDIDHN CC[C@H](N)C(=O)N[C@H](C)Cc1c(C)noc1C ZINC000161365071 171481202 /nfs/dbraw/zinc/48/12/02/171481202.db2.gz OZPWQMOESSGUCO-HQJQHLMTSA-N 0 3 239.319 1.076 20 70 BDIDHN CCc1ncc(CNC(C)(C)[C@@H](C)O)s1 ZINC000160621473 172017356 /nfs/dbraw/zinc/01/73/56/172017356.db2.gz SUVDIPYWGROQIO-MRVPVSSYSA-N 0 3 228.361 1.955 20 70 BDIDHN CCn1nccc1CN[C@@](C)(CC)CO ZINC000160204257 172272499 /nfs/dbraw/zinc/27/24/99/172272499.db2.gz XPJRUUVIDRNPCR-NSHDSACASA-N 0 3 211.309 1.154 20 70 BDIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cncs1 ZINC000159538839 323036006 /nfs/dbraw/zinc/03/60/06/323036006.db2.gz NVVAXINXUMBKQP-DTWKUNHWSA-N 0 3 239.344 1.229 20 70 BDIDHN CC1CCC(CN2CCC[C@H]2C(N)=O)CC1 ZINC000160375032 323065442 /nfs/dbraw/zinc/06/54/42/323065442.db2.gz MFBOJFSUGDXNPC-MCIGGMRASA-N 0 3 224.348 1.762 20 70 BDIDHN C[C@@H](CC(=O)N(C)CCN(C)C)c1ccncc1 ZINC000161111757 538914327 /nfs/dbraw/zinc/91/43/27/538914327.db2.gz DLQRTFGUFMWLSU-LBPRGKRZSA-N 0 3 249.358 1.595 20 70 BDIDHN CCc1nc(CN2CCC[C@@H]2C(C)(C)O)n[nH]1 ZINC000159414382 136214366 /nfs/dbraw/zinc/21/43/66/136214366.db2.gz ZBFACKWILRABGF-SECBINFHSA-N 0 3 238.335 1.102 20 70 BDIDHN Cc1ccc([C@@H](C)CNC(=O)[C@@H](C)N)cc1 ZINC000161168820 398167597 /nfs/dbraw/zinc/16/75/97/398167597.db2.gz XROWEUWUEBZEJO-WDEREUQCSA-N 0 3 220.316 1.562 20 70 BDIDHN CC(C)(N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161258254 187301849 /nfs/dbraw/zinc/30/18/49/187301849.db2.gz DVWUWYNDFPXSKE-ZDUSSCGKSA-N 0 3 246.354 1.861 20 70 BDIDHN Cc1cccc([C@@H]2CCCN2CCO)n1 ZINC000159834002 345558358 /nfs/dbraw/zinc/55/83/58/345558358.db2.gz DZDVMWQXTYBGGY-LBPRGKRZSA-N 0 3 206.289 1.519 20 70 BDIDHN CC[C@H](C)[C@@H](N)C(=O)NCCC(C)(C)C ZINC000160913767 349338386 /nfs/dbraw/zinc/33/83/86/349338386.db2.gz HNJYSHSDPCJFEJ-VHSXEESVSA-N 0 3 214.353 1.912 20 70 BDIDHN CCOCCCN1CCC(NC(C)=O)CC1 ZINC000159872428 351016735 /nfs/dbraw/zinc/01/67/35/351016735.db2.gz OLELCHBYWRHCKQ-UHFFFAOYSA-N 0 3 228.336 1.014 20 70 BDIDHN CC1CCN(C(=O)N2CC[C@@H](N(C)C)C2)CC1 ZINC000160555060 357060849 /nfs/dbraw/zinc/06/08/49/357060849.db2.gz UQKIPDPNYQWIRL-GFCCVEGCSA-N 0 3 239.363 1.474 20 70 BDIDHN CC1CCN(C(=O)N2CC[C@H](N(C)C)C2)CC1 ZINC000160554912 357061487 /nfs/dbraw/zinc/06/14/87/357061487.db2.gz UQKIPDPNYQWIRL-LBPRGKRZSA-N 0 3 239.363 1.474 20 70 BDIDHN CC[C@@H](CSC)NCc1cnccn1 ZINC000217328555 357846176 /nfs/dbraw/zinc/84/61/76/357846176.db2.gz LETSJXNYWJFKCR-VIFPVBQESA-N 0 3 211.334 1.708 20 70 BDIDHN CCS[C@H]1CCCCN(C(=O)[C@H](C)N)C1 ZINC000159764083 361288420 /nfs/dbraw/zinc/28/84/20/361288420.db2.gz ZYDIHBBCLBMWKD-UWVGGRQHSA-N 0 3 230.377 1.468 20 70 BDIDHN COC(=O)[C@H](C1CC1)N1CC[C@@H](C(C)C)C1 ZINC000159600874 361260342 /nfs/dbraw/zinc/26/03/42/361260342.db2.gz OFWOMAMDOCNGDI-NEPJUHHUSA-N 0 3 225.332 1.916 20 70 BDIDHN CCCC[C@H](NC(=O)[C@@H](C)N)C1CCC1 ZINC000160779642 361328029 /nfs/dbraw/zinc/32/80/29/361328029.db2.gz IOJVKPROGWYVQB-KOLCDFICSA-N 0 3 212.337 1.809 20 70 BDIDHN CC[C@@H](C)[C@@H](N)C(=O)NCCC(C)(C)C ZINC000160913649 361332666 /nfs/dbraw/zinc/33/26/66/361332666.db2.gz HNJYSHSDPCJFEJ-NXEZZACHSA-N 0 3 214.353 1.912 20 70 BDIDHN NCC(=O)N[C@H]1CCC[C@H]1c1ccccc1 ZINC000159714925 181355552 /nfs/dbraw/zinc/35/55/52/181355552.db2.gz LRDUUWQVZADGHI-RYUDHWBXSA-N 0 3 218.300 1.398 20 70 BDIDHN CCC[C@H](O)CNCc1ccncc1Cl ZINC000217902882 372026147 /nfs/dbraw/zinc/02/61/47/372026147.db2.gz DDUURALHEATISC-JTQLQIEISA-N 0 3 228.723 1.986 20 70 BDIDHN Cc1ccoc1CN1CCC(CC(N)=O)CC1 ZINC000159816982 384361103 /nfs/dbraw/zinc/36/11/03/384361103.db2.gz IKCRCKJORPXCIN-UHFFFAOYSA-N 0 3 236.315 1.675 20 70 BDIDHN CCOCCCN1CCS[C@H](C)C1 ZINC000160584802 384421717 /nfs/dbraw/zinc/42/17/17/384421717.db2.gz LHBVFGDVYDIMJU-SNVBAGLBSA-N 0 3 203.351 1.850 20 70 BDIDHN CCC1(CNC(=O)[C@H](N)CCSC)CC1 ZINC000159633134 384457582 /nfs/dbraw/zinc/45/75/82/384457582.db2.gz WFIJWAJEXSVWTG-SECBINFHSA-N 0 3 230.377 1.373 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161053487 384455122 /nfs/dbraw/zinc/45/51/22/384455122.db2.gz AEPNQQKKXHBOIZ-IACUBPJLSA-N 0 3 246.354 1.861 20 70 BDIDHN CC[C@H](N)C(=O)N1CCOc2cc(F)ccc21 ZINC000160815585 384436726 /nfs/dbraw/zinc/43/67/26/384436726.db2.gz OHCCINBCMBONBY-VIFPVBQESA-N 0 3 238.262 1.288 20 70 BDIDHN CC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161259582 384477784 /nfs/dbraw/zinc/47/77/84/384477784.db2.gz KUYBKEFHXLITFN-UONOGXRCSA-N 0 3 246.354 1.861 20 70 BDIDHN Cc1nn(C)c(C)c1CN(C)C[C@H]1CCOC1 ZINC000161057529 385022763 /nfs/dbraw/zinc/02/27/63/385022763.db2.gz FVEUJQKTGJNXQE-GFCCVEGCSA-N 0 3 237.347 1.505 20 70 BDIDHN CC[C@H](NC(=O)[C@H](C)N)c1ccc(F)cc1F ZINC000161207561 386605177 /nfs/dbraw/zinc/60/51/77/386605177.db2.gz FWRSEFDNPCSJAO-CPCISQLKSA-N 0 3 242.269 1.879 20 70 BDIDHN CC[C@H](NCCO)c1cccc(OC)c1 ZINC000159682507 388027326 /nfs/dbraw/zinc/02/73/26/388027326.db2.gz OLQQVLBIKMNNCB-LBPRGKRZSA-N 0 3 209.289 1.728 20 70 BDIDHN O=C([C@@H]1CCCCN1)N1CCC2(CCC2)C1 ZINC000160620541 388078141 /nfs/dbraw/zinc/07/81/41/388078141.db2.gz JLXIEDIHDVBZMB-NSHDSACASA-N 0 3 222.332 1.531 20 70 BDIDHN COc1ccc2c(c1)[C@H](NCCO)CCCO2 ZINC000159678494 134784499 /nfs/dbraw/zinc/78/44/99/134784499.db2.gz IOTWGWHWNGEYBQ-GFCCVEGCSA-N 0 3 237.299 1.491 20 70 BDIDHN CC[C@H](N)C(=O)N(CC)c1nc(C)cs1 ZINC000161354170 411436995 /nfs/dbraw/zinc/43/69/95/411436995.db2.gz WYOXGIHTQMOVPW-QMMMGPOBSA-N 0 3 227.333 1.542 20 70 BDIDHN CNCC(=O)NCC1(c2cccc(F)c2)CC1 ZINC000160541796 173329035 /nfs/dbraw/zinc/32/90/35/173329035.db2.gz VVFPSTADUJGTLQ-UHFFFAOYSA-N 0 3 236.290 1.193 20 70 BDIDHN C[C@@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161196939 175796683 /nfs/dbraw/zinc/79/66/83/175796683.db2.gz BFICZDSUYDRPAE-SECBINFHSA-N 0 3 238.306 1.567 20 70 BDIDHN C[C@H](NCCO)c1cnn(Cc2ccccc2)c1 ZINC000159709210 176850653 /nfs/dbraw/zinc/85/06/53/176850653.db2.gz QZFYXUVGBWCEMC-LBPRGKRZSA-N 0 3 245.326 1.574 20 70 BDIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cncs1 ZINC000159538558 323035951 /nfs/dbraw/zinc/03/59/51/323035951.db2.gz NVVAXINXUMBKQP-BDAKNGLRSA-N 0 3 239.344 1.229 20 70 BDIDHN CCN1CCC[C@@H]1CNC(=O)C1(C)CC1 ZINC000159573222 323038404 /nfs/dbraw/zinc/03/84/04/323038404.db2.gz VAGATSMPSCAHRB-SNVBAGLBSA-N 0 3 210.321 1.387 20 70 BDIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccsc1 ZINC000159684480 323043619 /nfs/dbraw/zinc/04/36/19/323043619.db2.gz BMSQTWWPSPBULW-ONGXEEELSA-N 0 3 238.356 1.834 20 70 BDIDHN C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCO ZINC000159725333 323045087 /nfs/dbraw/zinc/04/50/87/323045087.db2.gz LEKXNXLUIRXSOG-PELKAZGASA-N 0 3 209.264 1.641 20 70 BDIDHN CN(C)C(=O)CN(C)CCC(C)(C)C ZINC000161256447 323075822 /nfs/dbraw/zinc/07/58/22/323075822.db2.gz IDETXUKBLXPXNA-UHFFFAOYSA-N 0 3 200.326 1.443 20 70 BDIDHN C[C@@H](N)C(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000161425987 487495789 /nfs/dbraw/zinc/49/57/89/487495789.db2.gz WCGFVPCEXMXMIS-BDAKNGLRSA-N 0 3 236.290 1.619 20 70 BDIDHN COC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000217723947 536880908 /nfs/dbraw/zinc/88/09/08/536880908.db2.gz DXLWTMALUFKTIF-MNOVXSKESA-N 0 3 240.347 1.107 20 70 BDIDHN C[C@@H]1C[C@H](C)CN(CCCCS(C)(=O)=O)C1 ZINC000161085434 538913965 /nfs/dbraw/zinc/91/39/65/538913965.db2.gz YOQDXYIQMNCWGT-TXEJJXNPSA-N 0 3 247.404 1.789 20 70 BDIDHN CS[C@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000159571679 323038172 /nfs/dbraw/zinc/03/81/72/323038172.db2.gz RQLYZJPIFIKXFW-SECBINFHSA-N 0 3 245.392 1.131 20 70 BDIDHN Cc1n[nH]cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159568763 345443725 /nfs/dbraw/zinc/44/37/25/345443725.db2.gz BEWCGMKGGCIJEE-XQQFMLRXSA-N 0 3 247.342 1.765 20 70 BDIDHN CCCN1CCCN(C(=O)[C@H](C)CC)CC1 ZINC000160354593 347572634 /nfs/dbraw/zinc/57/26/34/347572634.db2.gz ZMWSXDUEGQZRIE-GFCCVEGCSA-N 0 3 226.364 1.977 20 70 BDIDHN C[C@H](CO)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000160502068 348925082 /nfs/dbraw/zinc/92/50/82/348925082.db2.gz CPTZTMNTYQBCJM-NEPJUHHUSA-N 0 3 242.363 1.090 20 70 BDIDHN CCOC(=O)CCCN(C)C[C@@H]1CCCO1 ZINC000160970749 349360576 /nfs/dbraw/zinc/36/05/76/349360576.db2.gz QIROLWCRQPIIPO-NSHDSACASA-N 0 3 229.320 1.441 20 70 BDIDHN CSCC[C@@H](N)C(=O)N[C@@H](C)CC1CC1 ZINC000159854782 350451048 /nfs/dbraw/zinc/45/10/48/350451048.db2.gz ONDZYEXKYDHLHK-WCBMZHEXSA-N 0 3 230.377 1.372 20 70 BDIDHN CCOCCCN1CCCN(C(=O)CC)CC1 ZINC000159469304 350541581 /nfs/dbraw/zinc/54/15/81/350541581.db2.gz LLKXHXPZBXAQHB-UHFFFAOYSA-N 0 3 242.363 1.357 20 70 BDIDHN CC(C)N(CCN(C)C)C(=O)NC1CC=CC1 ZINC000159665025 538878468 /nfs/dbraw/zinc/87/84/68/538878468.db2.gz IZGYBKRLEUOMBP-UHFFFAOYSA-N 0 3 239.363 1.687 20 70 BDIDHN CC[C@@H](CSC)N(C)C[C@H](O)C(F)(F)F ZINC000159670214 361279400 /nfs/dbraw/zinc/27/94/00/361279400.db2.gz VPLYGTVPXKAKEY-YUMQZZPRSA-N 0 3 245.310 1.983 20 70 BDIDHN C[C@]1(C(=O)NCC2CCC2)CCCCN1 ZINC000159567121 361256873 /nfs/dbraw/zinc/25/68/73/361256873.db2.gz WBLDWNKOLFDZST-GFCCVEGCSA-N 0 3 210.321 1.435 20 70 BDIDHN CN(CC1CC1)C(=O)[C@]1(C)CCCCN1 ZINC000159572172 361258037 /nfs/dbraw/zinc/25/80/37/361258037.db2.gz BJUGDBZSHKNGAD-LBPRGKRZSA-N 0 3 210.321 1.387 20 70 BDIDHN CN1CCC[C@@H]1CNc1ncnc2c1CCCC2 ZINC000217802054 372014475 /nfs/dbraw/zinc/01/44/75/372014475.db2.gz DZTIUTIZCPQGAT-LLVKDONJSA-N 0 3 246.358 1.862 20 70 BDIDHN CCCC[C@H](NC(=O)[C@H](C)N)C1CCC1 ZINC000160779384 169010895 /nfs/dbraw/zinc/01/08/95/169010895.db2.gz IOJVKPROGWYVQB-ONGXEEELSA-N 0 3 212.337 1.809 20 70 BDIDHN CCN(CCC(=O)OC)CCc1nccs1 ZINC000159433959 384330791 /nfs/dbraw/zinc/33/07/91/384330791.db2.gz UQKRLMFCXVVUJV-UHFFFAOYSA-N 0 3 242.344 1.571 20 70 BDIDHN CCc1ccccc1C(=O)NCCN(C)C ZINC000160559922 384419377 /nfs/dbraw/zinc/41/93/77/384419377.db2.gz ULCUXNNFXFQYOX-UHFFFAOYSA-N 0 3 220.316 1.540 20 70 BDIDHN C[C@@]1(c2ccccc2)CCCN(C(=O)CN)C1 ZINC000160102427 384385500 /nfs/dbraw/zinc/38/55/00/384385500.db2.gz FLEZRIKENQCGIZ-CQSZACIVSA-N 0 3 232.327 1.525 20 70 BDIDHN CC[C@@H](NCCO)c1cccc(OC)c1 ZINC000159682653 388027207 /nfs/dbraw/zinc/02/72/07/388027207.db2.gz OLQQVLBIKMNNCB-GFCCVEGCSA-N 0 3 209.289 1.728 20 70 BDIDHN C[C@H](O)C(C)(C)NCc1cccc(O)c1 ZINC000160616249 388078229 /nfs/dbraw/zinc/07/82/29/388078229.db2.gz BAFRZISEMXWWHC-VIFPVBQESA-N 0 3 209.289 1.641 20 70 BDIDHN C[C@H](CC(N)=O)N[C@H](C)c1cncs1 ZINC000160673221 388083301 /nfs/dbraw/zinc/08/33/01/388083301.db2.gz DUPPRMNMMCQHOP-RNFRBKRXSA-N 0 3 213.306 1.058 20 70 BDIDHN C[C@H](CO)[C@H](C)N[C@@H](C)c1ccccn1 ZINC000160893628 388099102 /nfs/dbraw/zinc/09/91/02/388099102.db2.gz GKFLOUWVMWIQIL-VWYCJHECSA-N 0 3 208.305 1.749 20 70 BDIDHN CC[C@@H](N[C@H](C)CO)c1ccc(F)cn1 ZINC000161316436 133513023 /nfs/dbraw/zinc/51/30/23/133513023.db2.gz UYRXBKRYULEMLC-PSASIEDQSA-N 0 3 212.268 1.642 20 70 BDIDHN CCC(=O)N1CC[C@H](N[C@H](C)c2ccccn2)C1 ZINC000159385626 168225833 /nfs/dbraw/zinc/22/58/33/168225833.db2.gz GHBNWFKWMJVDAC-NEPJUHHUSA-N 0 3 247.342 1.743 20 70 BDIDHN CCC(=O)N[C@@H]1CCCN(C[C@](C)(O)CC)C1 ZINC000160758072 168237255 /nfs/dbraw/zinc/23/72/55/168237255.db2.gz WDIRJGYFOOUBQI-DGCLKSJQSA-N 0 3 242.363 1.138 20 70 BDIDHN CCc1ncnc(NC[C@H]2CCN(C)C2)c1F ZINC000218005551 172032120 /nfs/dbraw/zinc/03/21/20/172032120.db2.gz YZIPPHKTMSUKNY-SECBINFHSA-N 0 3 238.310 1.542 20 70 BDIDHN CC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159730426 323045133 /nfs/dbraw/zinc/04/51/33/323045133.db2.gz UUBJEJFFKYNARC-AAEUAGOBSA-N 0 3 232.327 1.570 20 70 BDIDHN CN1CCC[C@@H]1CNC(=O)NC1(C)CCC1 ZINC000160032806 323058236 /nfs/dbraw/zinc/05/82/36/323058236.db2.gz LAKOSTUOOCYYNP-SNVBAGLBSA-N 0 3 225.336 1.322 20 70 BDIDHN C[C@H](N)C(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000161426122 487495775 /nfs/dbraw/zinc/49/57/75/487495775.db2.gz WCGFVPCEXMXMIS-DTWKUNHWSA-N 0 3 236.290 1.619 20 70 BDIDHN COc1cccc(CNCCCO)c1F ZINC000160462507 488135306 /nfs/dbraw/zinc/13/53/06/488135306.db2.gz HTOIHWJPKTWCMD-UHFFFAOYSA-N 0 3 213.252 1.306 20 70 BDIDHN C[C@](O)(CO)CNC/C=C\c1ccccc1 ZINC000218266891 490515870 /nfs/dbraw/zinc/51/58/70/490515870.db2.gz NXJSUMYZKHOYQW-DMTLFAOVSA-N 0 3 221.300 1.033 20 70 BDIDHN Fc1cncc(-c2nc3c(s2)CNCC3)c1 ZINC000218740437 592175706 /nfs/dbraw/zinc/17/57/06/592175706.db2.gz LJFFZDKCYDEEKN-UHFFFAOYSA-N 0 3 235.287 1.990 20 70 BDIDHN C[C@@H](CO)CN1CCC[C@H](C(F)(F)F)C1 ZINC000160906667 538913227 /nfs/dbraw/zinc/91/32/27/538913227.db2.gz RUUSXRIFVXZELD-BDAKNGLRSA-N 0 3 225.254 1.889 20 70 BDIDHN Cc1nc(CN(C)CCN2CCCC2)cs1 ZINC000161497000 349465704 /nfs/dbraw/zinc/46/57/04/349465704.db2.gz BWJXVQJPDQXXLF-UHFFFAOYSA-N 0 3 239.388 1.979 20 70 BDIDHN C[C@@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159451303 345434888 /nfs/dbraw/zinc/43/48/88/345434888.db2.gz OROLXVSSGWYORP-SECBINFHSA-N 0 3 224.279 1.222 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F ZINC000159492544 345438235 /nfs/dbraw/zinc/43/82/35/345438235.db2.gz KUZMSDKZPDNUCJ-JGVFFNPUSA-N 0 3 242.269 1.532 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159728911 345502773 /nfs/dbraw/zinc/50/27/73/345502773.db2.gz YVZHUXYMUXXLFU-MWLCHTKSSA-N 0 3 218.300 1.180 20 70 BDIDHN CN(C)CCN(C)c1nc(C(C)(C)C)ns1 ZINC000159803051 345546128 /nfs/dbraw/zinc/54/61/28/345546128.db2.gz WHLGGEGOLBJKKV-UHFFFAOYSA-N 0 3 242.392 1.833 20 70 BDIDHN Cc1nccn1CCCCN1CCN(C)CC1 ZINC000161244938 349415007 /nfs/dbraw/zinc/41/50/07/349415007.db2.gz LFULNXMYIPACNA-UHFFFAOYSA-N 0 3 236.363 1.219 20 70 BDIDHN NC1(C(=O)NCC2C3CC4CC(C3)CC2C4)CC1 ZINC000217111402 350039455 /nfs/dbraw/zinc/03/94/55/350039455.db2.gz HQIOBNWNBSVSLH-UHFFFAOYSA-N 0 3 248.370 1.666 20 70 BDIDHN CCOCCCN1CCC[C@@H](NC(=O)CC)C1 ZINC000159943665 351124419 /nfs/dbraw/zinc/12/44/19/351124419.db2.gz FHVGPFQULJTVBP-GFCCVEGCSA-N 0 3 242.363 1.404 20 70 BDIDHN CCN(C)CCNC(=O)[C@@H](C)c1ccsc1 ZINC000160150011 353312844 /nfs/dbraw/zinc/31/28/44/353312844.db2.gz MENIMOAAOODTEU-JTQLQIEISA-N 0 3 240.372 1.920 20 70 BDIDHN CC[C@@H](C)N(C)CCNC(=O)CCC(C)=O ZINC000217918089 134251080 /nfs/dbraw/zinc/25/10/80/134251080.db2.gz SESVOUZSTSPNCK-SNVBAGLBSA-N 0 3 228.336 1.202 20 70 BDIDHN CC(C)[C@@H](C)NC(=O)[C@]1(C)CCCCN1 ZINC000159556078 361254749 /nfs/dbraw/zinc/25/47/49/361254749.db2.gz IRRSAGDAIVIKIF-PWSUYJOCSA-N 0 3 212.337 1.679 20 70 BDIDHN CC[C@@H]1CCN([C@H](C(=O)OC)C2CC2)C1 ZINC000159601155 361261841 /nfs/dbraw/zinc/26/18/41/361261841.db2.gz FXXJIEGKXUFHHE-KOLCDFICSA-N 0 3 211.305 1.670 20 70 BDIDHN CCNC(=O)CN(CC)CCC(C)(C)C ZINC000160086197 541495683 /nfs/dbraw/zinc/49/56/83/541495683.db2.gz LZCRKGDTSIHRSE-UHFFFAOYSA-N 0 3 214.353 1.881 20 70 BDIDHN OCCN[C@H]1CCSc2ccc(F)cc21 ZINC000159672495 183079273 /nfs/dbraw/zinc/07/92/73/183079273.db2.gz WXLIAYQKNRZHJX-JTQLQIEISA-N 0 3 227.304 1.945 20 70 BDIDHN CCCN(CCO)Cc1ccc(OC)c(O)c1 ZINC000161211869 169167229 /nfs/dbraw/zinc/16/72/29/169167229.db2.gz DFBDCMMDODRFBU-UHFFFAOYSA-N 0 3 239.315 1.605 20 70 BDIDHN COc1cc(CCNC(=O)[C@@H](C)N)ccc1C ZINC000160320096 384401833 /nfs/dbraw/zinc/40/18/33/384401833.db2.gz QVMQZVXXTGSMNB-SNVBAGLBSA-N 0 3 236.315 1.010 20 70 BDIDHN C[C@@H](N)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000160119502 384384255 /nfs/dbraw/zinc/38/42/55/384384255.db2.gz ONYCJMGVRIGEFX-MFKMUULPSA-N 0 3 232.327 1.350 20 70 BDIDHN CCCCN1CCN(Cc2ccncc2)CC1 ZINC000161139574 384466776 /nfs/dbraw/zinc/46/67/76/384466776.db2.gz LYMZOQJBGVEEBT-UHFFFAOYSA-N 0 3 233.359 1.999 20 70 BDIDHN CCC[C@@H](O)CN[C@H](C)c1ccncc1 ZINC000161234379 384944586 /nfs/dbraw/zinc/94/45/86/384944586.db2.gz BIMJMHJOLHXZKY-ZYHUDNBSSA-N 0 3 208.305 1.893 20 70 BDIDHN CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000161084359 385149912 /nfs/dbraw/zinc/14/99/12/385149912.db2.gz DQCDOLISRWQCRK-RYUDHWBXSA-N 0 3 240.347 1.156 20 70 BDIDHN CCO[C@H]1C[C@H](NC(=O)[C@H](C)N)C12CCCC2 ZINC000161110531 385505100 /nfs/dbraw/zinc/50/51/00/385505100.db2.gz KJLQENRHMSEIHQ-DCAQKATOSA-N 0 3 240.347 1.188 20 70 BDIDHN CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CNC ZINC000161384433 385928241 /nfs/dbraw/zinc/92/82/41/385928241.db2.gz DFDITGSKAFNYMZ-CQSZACIVSA-N 0 3 248.370 1.994 20 70 BDIDHN CCCC1(CNC(=O)C(C)S(C)(=O)=O)CC1 ZINC000160693132 387112574 /nfs/dbraw/zinc/11/25/74/387112574.db2.gz DZAIHFYOBNYWLK-VIFPVBQESA-N 0 3 247.360 1.116 20 70 BDIDHN C[C@@H](O)CC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159604896 388022700 /nfs/dbraw/zinc/02/27/00/388022700.db2.gz IBWUNOMVNBJWNQ-MRVPVSSYSA-N 0 3 213.252 1.392 20 70 BDIDHN CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccn2)C1 ZINC000159385366 168224005 /nfs/dbraw/zinc/22/40/05/168224005.db2.gz GHBNWFKWMJVDAC-RYUDHWBXSA-N 0 3 247.342 1.743 20 70 BDIDHN CCn1nccc1CNCCCCOC ZINC000160008036 172270702 /nfs/dbraw/zinc/27/07/02/172270702.db2.gz RKYTYOUIZBCIKI-UHFFFAOYSA-N 0 3 211.309 1.419 20 70 BDIDHN COCCCCCNCc1nccn1C ZINC000218240792 174183466 /nfs/dbraw/zinc/18/34/66/174183466.db2.gz RHQJQBJZZFOOLL-UHFFFAOYSA-N 0 3 211.309 1.326 20 70 BDIDHN Cc1ncccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159672020 323043506 /nfs/dbraw/zinc/04/35/06/323043506.db2.gz BQURCVDGEJEWPU-GWCFXTLKSA-N 0 3 247.342 1.476 20 70 BDIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1cccn1C ZINC000159685391 323043798 /nfs/dbraw/zinc/04/37/98/323043798.db2.gz KQESGSMYDOQCQW-MNOVXSKESA-N 0 3 235.331 1.111 20 70 BDIDHN CS[C@@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000159720094 323075247 /nfs/dbraw/zinc/07/52/47/323075247.db2.gz OYKUUOKZUQOIAR-VHSXEESVSA-N 0 3 245.392 1.131 20 70 BDIDHN CC(C)c1cc(CNC(=O)[C@H](N)C(C)C)on1 ZINC000160149812 488111207 /nfs/dbraw/zinc/11/12/07/488111207.db2.gz QBNDSMANRCDQJZ-LLVKDONJSA-N 0 3 239.319 1.398 20 70 BDIDHN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN ZINC000217822796 535253413 /nfs/dbraw/zinc/25/34/13/535253413.db2.gz USPZVZKSBQFZDR-VWYCJHECSA-N 0 3 212.337 1.522 20 70 BDIDHN C[C@H](c1ccccn1)N(C)C[C@H](O)C1CC1 ZINC000160859050 538912843 /nfs/dbraw/zinc/91/28/43/538912843.db2.gz HWTOCGXMAASSBA-MFKMUULPSA-N 0 3 220.316 1.845 20 70 BDIDHN NC(=O)[C@H](NC1CC=CC1)c1ccccc1 ZINC000160898569 538913213 /nfs/dbraw/zinc/91/32/13/538913213.db2.gz PTZCDHUPALHMGV-GFCCVEGCSA-N 0 3 216.284 1.521 20 70 BDIDHN Cc1ccc(C[C@@H](C)N(C)C(=O)CN)cc1 ZINC000161156355 178647577 /nfs/dbraw/zinc/64/75/77/178647577.db2.gz OZGODMAOBSHZOV-LLVKDONJSA-N 0 3 220.316 1.343 20 70 BDIDHN CC[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000159568845 345443855 /nfs/dbraw/zinc/44/38/55/345443855.db2.gz MWJVSAOLBFKTNM-YPMHNXCESA-N 0 3 242.338 1.727 20 70 BDIDHN C[C@@H](N)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000159877704 345581101 /nfs/dbraw/zinc/58/11/01/345581101.db2.gz XPAVXCNADTUMIC-DBIOUOCHSA-N 0 3 210.321 1.513 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000159881977 345582062 /nfs/dbraw/zinc/58/20/62/345582062.db2.gz JZEDQGPXBHPLOZ-YGOYTEALSA-N 0 3 218.300 1.383 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000159882115 345582527 /nfs/dbraw/zinc/58/25/27/345582527.db2.gz JZEDQGPXBHPLOZ-LNLATYFQSA-N 0 3 218.300 1.383 20 70 BDIDHN CN(Cc1cnc2ccccn12)C[C@H]1CCOC1 ZINC000160965875 349344749 /nfs/dbraw/zinc/34/47/49/349344749.db2.gz YAMYFHFFYWWNAG-GFCCVEGCSA-N 0 3 245.326 1.803 20 70 BDIDHN NC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 ZINC000159820271 181328414 /nfs/dbraw/zinc/32/84/14/181328414.db2.gz GXTVHHPWUHXRMI-ZDUSSCGKSA-N 0 3 244.338 1.615 20 70 BDIDHN C[C@@H]1CN(CCOCC2CC2)CCS1 ZINC000160581897 384421555 /nfs/dbraw/zinc/42/15/55/384421555.db2.gz SRRZBYMJKHARSX-SNVBAGLBSA-N 0 3 215.362 1.850 20 70 BDIDHN C[C@@H](NC(=O)[C@H](C)N)[C@H](C)c1ccccc1 ZINC000160889522 384442245 /nfs/dbraw/zinc/44/22/45/384442245.db2.gz VMCVLWFZNCLSNO-GARJFASQSA-N 0 3 220.316 1.642 20 70 BDIDHN c1cnn(CCN2CCCSCC2)c1 ZINC000161478823 384493054 /nfs/dbraw/zinc/49/30/54/384493054.db2.gz LSDZBTGSKLIBFT-UHFFFAOYSA-N 0 3 211.334 1.322 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000160890744 386427622 /nfs/dbraw/zinc/42/76/22/386427622.db2.gz VMCVLWFZNCLSNO-HBNTYKKESA-N 0 3 220.316 1.642 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161021062 388001122 /nfs/dbraw/zinc/00/11/22/388001122.db2.gz LUAMPLPTCPHPQA-BRDIYROLSA-N 0 3 240.253 1.284 20 70 BDIDHN CSC[C@@H](CCO)N[C@@H](C)c1cncs1 ZINC000160232632 388055278 /nfs/dbraw/zinc/05/52/78/388055278.db2.gz KHMPKBFZXKZUGK-DTWKUNHWSA-N 0 3 246.401 1.908 20 70 BDIDHN CCc1nnc(C[NH2+][C@H](C)[C@H](C)CC)[n-]1 ZINC000160454324 388067315 /nfs/dbraw/zinc/06/73/15/388067315.db2.gz YCRUXUQLWCNSHX-RKDXNWHRSA-N 0 3 210.325 1.891 20 70 BDIDHN CCc1nnc(CN[C@H](C)[C@H](C)CC)[nH]1 ZINC000160454324 388067320 /nfs/dbraw/zinc/06/73/20/388067320.db2.gz YCRUXUQLWCNSHX-RKDXNWHRSA-N 0 3 210.325 1.891 20 70 BDIDHN Cc1cnccc1CN[C@@H]1CCC[C@H]1O ZINC000160609144 388078746 /nfs/dbraw/zinc/07/87/46/388078746.db2.gz WQEKUGFLKNKONE-VXGBXAGGSA-N 0 3 206.289 1.393 20 70 BDIDHN C[C@@H](NCC(C)(C)O)c1cncc(F)c1 ZINC000160638371 388079562 /nfs/dbraw/zinc/07/95/62/388079562.db2.gz PILWKHBOLQKOSD-MRVPVSSYSA-N 0 3 212.268 1.642 20 70 BDIDHN Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H](C)N)cc1 ZINC000161156102 388676708 /nfs/dbraw/zinc/67/67/08/388676708.db2.gz ZWJWHVWYNIBUPQ-NEPJUHHUSA-N 0 3 234.343 1.732 20 70 BDIDHN CN(CC[NH+](C)C)Cc1cc([O-])cc(F)c1 ZINC000159842885 172453082 /nfs/dbraw/zinc/45/30/82/172453082.db2.gz CCLZCXQVOLXBMW-UHFFFAOYSA-N 0 3 226.295 1.525 20 70 BDIDHN CSCC[C@H](C)N(C)C(=O)CNC1CC1 ZINC000159624317 323040635 /nfs/dbraw/zinc/04/06/35/323040635.db2.gz ODFWHQOCXOCJJH-VIFPVBQESA-N 0 3 230.377 1.338 20 70 BDIDHN Cc1ncccc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159671891 323043537 /nfs/dbraw/zinc/04/35/37/323043537.db2.gz BQURCVDGEJEWPU-GXFFZTMASA-N 0 3 247.342 1.476 20 70 BDIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1cccn1C ZINC000159685540 323043898 /nfs/dbraw/zinc/04/38/98/323043898.db2.gz KQESGSMYDOQCQW-QWRGUYRKSA-N 0 3 235.331 1.111 20 70 BDIDHN CN[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000160323274 323064831 /nfs/dbraw/zinc/06/48/31/323064831.db2.gz WKOBZUNKTZVBSE-QMMMGPOBSA-N 0 3 210.252 1.681 20 70 BDIDHN C[C@H](N)C(=O)N1CCc2cc(F)ccc2[C@@H]1C ZINC000161426256 487494571 /nfs/dbraw/zinc/49/45/71/487494571.db2.gz WCGFVPCEXMXMIS-IUCAKERBSA-N 0 3 236.290 1.619 20 70 BDIDHN C[C@@H](N[C@@H]1CCCN(C)C1)c1cscn1 ZINC000161162051 538914516 /nfs/dbraw/zinc/91/45/16/538914516.db2.gz IXVQPHXMVBPYLN-NXEZZACHSA-N 0 3 225.361 1.888 20 70 BDIDHN CCSCC[C@H](C)NC(=O)CNC1CC1 ZINC000159622334 343202340 /nfs/dbraw/zinc/20/23/40/343202340.db2.gz NGRIFERUAXZETG-VIFPVBQESA-N 0 3 230.377 1.386 20 70 BDIDHN CC[C@H]1CN(C(=O)CNC2CC2)CCS1 ZINC000159623426 343202618 /nfs/dbraw/zinc/20/26/18/343202618.db2.gz HEPHFKVMLFSFJF-JTQLQIEISA-N 0 3 228.361 1.092 20 70 BDIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccco1 ZINC000159639200 323041201 /nfs/dbraw/zinc/04/12/01/323041201.db2.gz MLGFXTHVNWRCEC-ZJUUUORDSA-N 0 3 222.288 1.365 20 70 BDIDHN CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000159569102 345443459 /nfs/dbraw/zinc/44/34/59/345443459.db2.gz MWJVSAOLBFKTNM-DGCLKSJQSA-N 0 3 242.338 1.727 20 70 BDIDHN CCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159732085 345504978 /nfs/dbraw/zinc/50/49/78/345504978.db2.gz OHTASXJYVDQDRZ-JSGCOSHPSA-N 0 3 246.354 1.960 20 70 BDIDHN Cc1cccc([C@H]2CCCN2CCO)n1 ZINC000159834130 345558273 /nfs/dbraw/zinc/55/82/73/345558273.db2.gz DZDVMWQXTYBGGY-GFCCVEGCSA-N 0 3 206.289 1.519 20 70 BDIDHN COc1cccnc1NCCN(C)C1CC1 ZINC000160232267 346357969 /nfs/dbraw/zinc/35/79/69/346357969.db2.gz JMOQIEUOFGBDHF-UHFFFAOYSA-N 0 3 221.304 1.596 20 70 BDIDHN C[C@@H]1CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000159574719 346425185 /nfs/dbraw/zinc/42/51/85/346425185.db2.gz MKNRXMQKQRSVJC-ZYHUDNBSSA-N 0 3 210.321 1.387 20 70 BDIDHN COC(=O)[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000160344842 347473850 /nfs/dbraw/zinc/47/38/50/347473850.db2.gz SOAQCFMHNUWIDS-GFCCVEGCSA-N 0 3 241.331 1.298 20 70 BDIDHN CCCN1CCCN(C(=O)[C@@H](C)CC)CC1 ZINC000160354475 347572673 /nfs/dbraw/zinc/57/26/73/347572673.db2.gz ZMWSXDUEGQZRIE-LBPRGKRZSA-N 0 3 226.364 1.977 20 70 BDIDHN CN1CCC[C@H]1CNCc1nccs1 ZINC000218140362 351036248 /nfs/dbraw/zinc/03/62/48/351036248.db2.gz QYRQBODPMZTHFE-VIFPVBQESA-N 0 3 211.334 1.327 20 70 BDIDHN COC[C@@H](NCc1cn2ccccc2n1)C1CC1 ZINC000159442448 538108292 /nfs/dbraw/zinc/10/82/92/538108292.db2.gz KIVWRWREZZHHPK-CYBMUJFWSA-N 0 3 245.326 1.849 20 70 BDIDHN CCC[C@@](C)(N)C(=O)N(C)CCSC ZINC000159597923 324138142 /nfs/dbraw/zinc/13/81/42/324138142.db2.gz FEOJTLZFCYCVAQ-SNVBAGLBSA-N 0 3 218.366 1.325 20 70 BDIDHN C[C@H](N)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000159877172 361293192 /nfs/dbraw/zinc/29/31/92/361293192.db2.gz XPAVXCNADTUMIC-YTWAJWBKSA-N 0 3 210.321 1.513 20 70 BDIDHN CCCC[C@@H](NC(=O)[C@H](C)N)C1CCC1 ZINC000160779494 361328052 /nfs/dbraw/zinc/32/80/52/361328052.db2.gz IOJVKPROGWYVQB-GXSJLCMTSA-N 0 3 212.337 1.809 20 70 BDIDHN CSCC[C@@H](N)C(=O)NC[C@@H]1CCCS1 ZINC000160895006 361332555 /nfs/dbraw/zinc/33/25/55/361332555.db2.gz DEQSCBLXRNPKRV-DTWKUNHWSA-N 0 3 248.417 1.079 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1 ZINC000159713416 384350746 /nfs/dbraw/zinc/35/07/46/384350746.db2.gz KGYYCANFZYVEPO-UHTWSYAYSA-N 0 3 232.327 1.786 20 70 BDIDHN C[C@@H](N)C(=O)NCC(C)(C)Cc1ccccc1 ZINC000161075633 384546753 /nfs/dbraw/zinc/54/67/53/384546753.db2.gz LNBZNRVKCPZCMS-LLVKDONJSA-N 0 3 234.343 1.719 20 70 BDIDHN Cc1c(CN[C@@H]2CCCSC2)cnn1C ZINC000160162963 384645741 /nfs/dbraw/zinc/64/57/41/384645741.db2.gz KCIFASCSVRUFQT-LLVKDONJSA-N 0 3 225.361 1.714 20 70 BDIDHN CC[C@H](O)CN1C[C@@H](C)OC[C@@H]1CC ZINC000218339980 386531252 /nfs/dbraw/zinc/53/12/52/386531252.db2.gz HZRQLRQPQXQHRS-VWYCJHECSA-N 0 3 201.310 1.257 20 70 BDIDHN CSc1ccccc1CN(C)CCO ZINC000159592740 388022839 /nfs/dbraw/zinc/02/28/39/388022839.db2.gz OLFAGJHTJJKRJP-UHFFFAOYSA-N 0 3 211.330 1.833 20 70 BDIDHN C[C@H](CO)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159605057 388023538 /nfs/dbraw/zinc/02/35/38/388023538.db2.gz CDEFVGFOUDJMNN-QMMMGPOBSA-N 0 3 213.252 1.249 20 70 BDIDHN COCCNCc1cc(F)cc(OC)c1 ZINC000159673695 388026857 /nfs/dbraw/zinc/02/68/57/388026857.db2.gz LPZOPMQUNHJWSC-UHFFFAOYSA-N 0 3 213.252 1.570 20 70 BDIDHN CO[C@@H]1CCCN(CCOCC2CC2)C1 ZINC000160439322 388066923 /nfs/dbraw/zinc/06/69/23/388066923.db2.gz VXZZOYSNMHUAIY-GFCCVEGCSA-N 0 3 213.321 1.524 20 70 BDIDHN CSCCN(C)Cc1ccnc(N)c1 ZINC000160165277 388049088 /nfs/dbraw/zinc/04/90/88/388049088.db2.gz LFPGLIHNVAEVSE-UHFFFAOYSA-N 0 3 211.334 1.459 20 70 BDIDHN CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1 ZINC000218002449 388576229 /nfs/dbraw/zinc/57/62/29/388576229.db2.gz NOAKVFOXQRQROA-VHSXEESVSA-N 0 3 213.325 1.130 20 70 BDIDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccccn1 ZINC000160892103 167456139 /nfs/dbraw/zinc/45/61/39/167456139.db2.gz XSSZXSAIMVQCNM-JQWIXIFHSA-N 0 3 208.305 1.749 20 70 BDIDHN CC(C)CC[C@@H](NC(=O)CN)C(C)(C)C ZINC000160071522 411308947 /nfs/dbraw/zinc/30/89/47/411308947.db2.gz WOKNOUSDSAWTBH-SNVBAGLBSA-N 0 3 214.353 1.912 20 70 BDIDHN CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccn2)C1 ZINC000159385735 168223171 /nfs/dbraw/zinc/22/31/71/168223171.db2.gz GHBNWFKWMJVDAC-VXGBXAGGSA-N 0 3 247.342 1.743 20 70 BDIDHN CNCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C ZINC000159886008 173327201 /nfs/dbraw/zinc/32/72/01/173327201.db2.gz KIQWFFWHLMZHRP-CHWSQXEVSA-N 0 3 246.354 1.919 20 70 BDIDHN CNCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C ZINC000161420044 173327809 /nfs/dbraw/zinc/32/78/09/173327809.db2.gz WDFPIPTWXDWCKJ-DGCLKSJQSA-N 0 3 232.327 1.610 20 70 BDIDHN CCN1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C ZINC000159575590 323038315 /nfs/dbraw/zinc/03/83/15/323038315.db2.gz WZNDIWYZIZSWDC-GFCCVEGCSA-N 0 3 249.358 1.846 20 70 BDIDHN CC1(C)CN(C(=O)CNC2CC2)CCS1 ZINC000159623571 323040698 /nfs/dbraw/zinc/04/06/98/323040698.db2.gz YWAMNSQCKJNVJR-UHFFFAOYSA-N 0 3 228.361 1.092 20 70 BDIDHN CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)C1 ZINC000217827186 535678674 /nfs/dbraw/zinc/67/86/74/535678674.db2.gz UFDKMKLAEAIRMQ-MXWKQRLJSA-N 0 3 212.337 1.809 20 70 BDIDHN Cc1ncsc1CN(C)C[C@@H](C)CO ZINC000160947979 538913373 /nfs/dbraw/zinc/91/33/73/538913373.db2.gz YXUCCXPKRIPHQP-MRVPVSSYSA-N 0 3 214.334 1.512 20 70 BDIDHN CCO[C@H]1C[C@@H](NC(=O)[C@@H](C)N)C12CCCC2 ZINC000161112156 398163710 /nfs/dbraw/zinc/16/37/10/398163710.db2.gz KJLQENRHMSEIHQ-MXWKQRLJSA-N 0 3 240.347 1.188 20 70 BDIDHN C[C@@H](NC1CCN(C)CC1)c1cscn1 ZINC000161145724 398344768 /nfs/dbraw/zinc/34/47/68/398344768.db2.gz KYJSALBUSZJJHZ-SECBINFHSA-N 0 3 225.361 1.888 20 70 BDIDHN Cc1cc(CNC2(CO)CC2)c(C)s1 ZINC000159648298 343202272 /nfs/dbraw/zinc/20/22/72/343202272.db2.gz YCHHLBRJENAZIL-UHFFFAOYSA-N 0 3 211.330 1.979 20 70 BDIDHN CC[C@@H](N)C(=O)Nc1c(C)cccc1F ZINC000160322540 343203423 /nfs/dbraw/zinc/20/34/23/343203423.db2.gz RUNODPQSSKGNMP-SECBINFHSA-N 0 3 210.252 1.810 20 70 BDIDHN CCN1CCC[C@H]1CNC(=O)C(C)(C)COC ZINC000160331518 323064719 /nfs/dbraw/zinc/06/47/19/323064719.db2.gz DXQFMGCAHRCFOL-NSHDSACASA-N 0 3 242.363 1.260 20 70 BDIDHN O[C@H](C1CCN(CCCF)CC1)C(F)(F)F ZINC000161205335 323075867 /nfs/dbraw/zinc/07/58/67/323075867.db2.gz LJTGSLQIJTWJPB-SECBINFHSA-N 0 3 243.244 1.981 20 70 BDIDHN CC(C)C1(CNC(=O)[C@]2(F)CCNC2)CC1 ZINC000160821786 349328820 /nfs/dbraw/zinc/32/88/20/349328820.db2.gz YGMZOJXUCRULQG-LBPRGKRZSA-N 0 3 228.311 1.240 20 70 BDIDHN CC[C@H](C(=O)N[C@@H](C)CC(C)(C)OC)N(C)C ZINC000160893895 350870019 /nfs/dbraw/zinc/87/00/19/350870019.db2.gz QMDRCNKDOAJJAZ-WDEREUQCSA-N 0 3 244.379 1.646 20 70 BDIDHN CCSCCN1CCC(N(C)C(C)=O)CC1 ZINC000159661116 350967777 /nfs/dbraw/zinc/96/77/77/350967777.db2.gz SADHBTIFALZSDA-UHFFFAOYSA-N 0 3 244.404 1.682 20 70 BDIDHN NC(=O)CC1CCN(Cc2cccc(O)c2)CC1 ZINC000159821262 181220069 /nfs/dbraw/zinc/22/00/69/181220069.db2.gz PMYKDQVIHGUVRU-UHFFFAOYSA-N 0 3 248.326 1.480 20 70 BDIDHN CC[C@@H](O)CCN[C@H](C)c1ccccn1 ZINC000159389155 361232249 /nfs/dbraw/zinc/23/22/49/361232249.db2.gz FGLIZKXGEUMIHA-GHMZBOCLSA-N 0 3 208.305 1.893 20 70 BDIDHN CCCN(CC)C(=O)[C@]1(C)CCCCN1 ZINC000159562080 361256216 /nfs/dbraw/zinc/25/62/16/361256216.db2.gz CEKWLZZSOSOIKL-LBPRGKRZSA-N 0 3 212.337 1.777 20 70 BDIDHN CS[C@@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000159569671 361257137 /nfs/dbraw/zinc/25/71/37/361257137.db2.gz YBAZGGVUZNOGCJ-RKDXNWHRSA-N 0 3 228.361 1.268 20 70 BDIDHN CCCN1CCCN(C(=O)[C@@H](C)OCC)CC1 ZINC000160395835 169192700 /nfs/dbraw/zinc/19/27/00/169192700.db2.gz JEGUPUAJRFNTAU-GFCCVEGCSA-N 0 3 242.363 1.356 20 70 BDIDHN COc1ccc2c(c1)[C@@H](NCCO)CCCO2 ZINC000159678620 384347959 /nfs/dbraw/zinc/34/79/59/384347959.db2.gz IOTWGWHWNGEYBQ-LBPRGKRZSA-N 0 3 237.299 1.491 20 70 BDIDHN C[C@@H](NCCO)c1ccc(N2CCCC2=O)cc1 ZINC000159712851 384350227 /nfs/dbraw/zinc/35/02/27/384350227.db2.gz WXDMRZQDYRWEJE-LLVKDONJSA-N 0 3 248.326 1.456 20 70 BDIDHN C[C@@H](NC[C@H]1CCOC1)c1cscn1 ZINC000161166763 384866143 /nfs/dbraw/zinc/86/61/43/384866143.db2.gz UJQDFMDQXNGWNS-RKDXNWHRSA-N 0 3 212.318 1.830 20 70 BDIDHN CCN(C(=O)[C@H](C)N)c1nc(C)cs1 ZINC000161353540 385839773 /nfs/dbraw/zinc/83/97/73/385839773.db2.gz IRWLASLNFNYUBR-ZETCQYMHSA-N 0 3 213.306 1.152 20 70 BDIDHN CCOc1cc(Cl)ccc1NC(=O)CNC ZINC000161502272 386327298 /nfs/dbraw/zinc/32/72/98/386327298.db2.gz UAEQLLTXBKWXFA-UHFFFAOYSA-N 0 3 242.706 1.897 20 70 BDIDHN CCOCCNCc1cc(O)cc(F)c1 ZINC000159592058 388022711 /nfs/dbraw/zinc/02/27/11/388022711.db2.gz XALAQPQKOQCUFA-UHFFFAOYSA-N 0 3 213.252 1.657 20 70 BDIDHN Cc1ccc([C@H](C)CNC(=O)[C@@H](C)N)cc1 ZINC000161168945 388761403 /nfs/dbraw/zinc/76/14/03/388761403.db2.gz XROWEUWUEBZEJO-GHMZBOCLSA-N 0 3 220.316 1.562 20 70 BDIDHN C[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000161175078 388790272 /nfs/dbraw/zinc/79/02/72/388790272.db2.gz LIQDDMOPYPRDTH-DCAQKATOSA-N 0 3 242.363 1.291 20 70 BDIDHN CC[C@H](NC(=O)[C@@H](C)N)c1ccc(F)cc1F ZINC000161208077 171504592 /nfs/dbraw/zinc/50/45/92/171504592.db2.gz FWRSEFDNPCSJAO-HQJQHLMTSA-N 0 3 242.269 1.879 20 70 BDIDHN CC[C@H](C(=O)N(C)Cc1cccn1C)N(C)C ZINC000159530463 323035750 /nfs/dbraw/zinc/03/57/50/323035750.db2.gz ZJCBDHMZYDMUDC-GFCCVEGCSA-N 0 3 237.347 1.324 20 70 BDIDHN C[C@@H]1SCCN(C(=O)CNC2CC2)[C@H]1C ZINC000159622959 323040622 /nfs/dbraw/zinc/04/06/22/323040622.db2.gz CZLBZAAEPVJGNL-IUCAKERBSA-N 0 3 228.361 1.091 20 70 BDIDHN Cc1ccc(CN2CCC[C@H]2C(N)=O)c(C)c1 ZINC000160338866 323065086 /nfs/dbraw/zinc/06/50/86/323065086.db2.gz CVEWIYUZEACIDW-ZDUSSCGKSA-N 0 3 232.327 1.753 20 70 BDIDHN CC(C)[C@@H](O)CCNC(=O)C1(N)CCCCC1 ZINC000160899069 323138520 /nfs/dbraw/zinc/13/85/20/323138520.db2.gz AEUNTNLIJQBHHJ-NSHDSACASA-N 0 3 242.363 1.171 20 70 BDIDHN CN(C)CCNC(=O)NCC1CCCCC1 ZINC000217600994 535883231 /nfs/dbraw/zinc/88/32/31/535883231.db2.gz QJAGYLKDBPBXKU-UHFFFAOYSA-N 0 3 227.352 1.428 20 70 BDIDHN CC(C)OCCN1CCN(c2ccncc2)CC1 ZINC000161348057 538915218 /nfs/dbraw/zinc/91/52/18/538915218.db2.gz LYQIFDWHXPTZEM-UHFFFAOYSA-N 0 3 249.358 1.629 20 70 BDIDHN Cn1nccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159584959 136214512 /nfs/dbraw/zinc/21/45/12/136214512.db2.gz KWNUKUWTQKSCJT-XQQFMLRXSA-N 0 3 247.342 1.467 20 70 BDIDHN CSCCN(C)C(=O)[C@@H](N)CC(C)C ZINC000159596353 323040035 /nfs/dbraw/zinc/04/00/35/323040035.db2.gz SJTNZKAOKTZRBR-VIFPVBQESA-N 0 3 218.366 1.181 20 70 BDIDHN C[C@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159450678 345434857 /nfs/dbraw/zinc/43/48/57/345434857.db2.gz OROLXVSSGWYORP-VIFPVBQESA-N 0 3 224.279 1.222 20 70 BDIDHN CCCO[C@@H]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000159469648 345436458 /nfs/dbraw/zinc/43/64/58/345436458.db2.gz FJMLXALQXVTTIX-WDEREUQCSA-N 0 3 228.336 1.141 20 70 BDIDHN Cc1n[nH]cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159569015 345443895 /nfs/dbraw/zinc/44/38/95/345443895.db2.gz BEWCGMKGGCIJEE-UPJWGTAASA-N 0 3 247.342 1.765 20 70 BDIDHN CNCC(=O)N(C)[C@@H](C)Cc1ccc(C)cc1 ZINC000159637010 345448243 /nfs/dbraw/zinc/44/82/43/345448243.db2.gz QZAMISMCWLXKDB-LBPRGKRZSA-N 0 3 234.343 1.604 20 70 BDIDHN CCN1CCCN(C(=O)NCCC2CC2)CC1 ZINC000159922981 345661125 /nfs/dbraw/zinc/66/11/25/345661125.db2.gz MFPGWTXEHLVYIT-UHFFFAOYSA-N 0 3 239.363 1.524 20 70 BDIDHN CCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159656533 346427646 /nfs/dbraw/zinc/42/76/46/346427646.db2.gz WHGDMRQYLMFGEI-RYUDHWBXSA-N 0 3 224.348 1.777 20 70 BDIDHN Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccco1)CC2 ZINC000160483177 180112865 /nfs/dbraw/zinc/11/28/65/180112865.db2.gz SWMZUMUJENZYQP-ONGXEEELSA-N 0 3 246.314 1.845 20 70 BDIDHN NC(=O)CC1CCN(Cc2ccsc2)CC1 ZINC000159835506 181220436 /nfs/dbraw/zinc/22/04/36/181220436.db2.gz INUQZFMZKXJGMM-UHFFFAOYSA-N 0 3 238.356 1.836 20 70 BDIDHN C[C@H](NCc1ccc(N(C)C)nc1)[C@H]1CCCO1 ZINC000159988711 538880916 /nfs/dbraw/zinc/88/09/16/538880916.db2.gz QIZVJOIYTHSGNR-WCQYABFASA-N 0 3 249.358 1.805 20 70 BDIDHN CC[C@@H](NCC(C)(C)O)c1cnn(C)c1 ZINC000160589339 538885284 /nfs/dbraw/zinc/88/52/84/538885284.db2.gz QIQGZXUHXBZFMV-SNVBAGLBSA-N 0 3 211.309 1.232 20 70 BDIDHN CC[C@H](CSC)NCc1cnccn1 ZINC000217328557 357845806 /nfs/dbraw/zinc/84/58/06/357845806.db2.gz LETSJXNYWJFKCR-SECBINFHSA-N 0 3 211.334 1.708 20 70 BDIDHN CSCC[C@@H](N)C(=O)NC[C@H]1CCCS1 ZINC000160895147 361332711 /nfs/dbraw/zinc/33/27/11/361332711.db2.gz DEQSCBLXRNPKRV-RKDXNWHRSA-N 0 3 248.417 1.079 20 70 BDIDHN C[C@]1(c2ccccc2)CCCN(C(=O)CN)C1 ZINC000160102307 384384626 /nfs/dbraw/zinc/38/46/26/384384626.db2.gz FLEZRIKENQCGIZ-AWEZNQCLSA-N 0 3 232.327 1.525 20 70 BDIDHN C[C@@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1 ZINC000160103093 384384889 /nfs/dbraw/zinc/38/48/89/384384889.db2.gz KLLPNBUAOVEAMU-IUODEOHRSA-N 0 3 246.354 1.914 20 70 BDIDHN CC(C)c1ncc(C(=O)NCCN(C)C)s1 ZINC000161384832 384486329 /nfs/dbraw/zinc/48/63/29/384486329.db2.gz LSTUECPHQSSZFT-UHFFFAOYSA-N 0 3 241.360 1.558 20 70 BDIDHN CC[C@H](N)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000161169619 384471120 /nfs/dbraw/zinc/47/11/20/384471120.db2.gz LWTGNQCPZHLFBC-YPMHNXCESA-N 0 3 234.343 1.952 20 70 BDIDHN CCC[C@]1(C)CCCN(C(=O)[C@@H](C)N)C1 ZINC000160932532 384844426 /nfs/dbraw/zinc/84/44/26/384844426.db2.gz ATGCALRTGNOEKZ-ZYHUDNBSSA-N 0 3 212.337 1.762 20 70 BDIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1ccccn1 ZINC000160792150 386124746 /nfs/dbraw/zinc/12/47/46/386124746.db2.gz HNXZFWRQOSNHPI-PSASIEDQSA-N 0 3 207.277 1.394 20 70 BDIDHN C[C@H](N)C(=O)NCCCCC1CCCC1 ZINC000160899993 386531331 /nfs/dbraw/zinc/53/13/31/386531331.db2.gz FVLNHNZZGPDYIC-JTQLQIEISA-N 0 3 212.337 1.810 20 70 BDIDHN C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C ZINC000160903769 386538442 /nfs/dbraw/zinc/53/84/42/386538442.db2.gz ZRXMOHLCBMEDHS-WZRBSPASSA-N 0 3 232.327 1.738 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161054057 387373960 /nfs/dbraw/zinc/37/39/60/387373960.db2.gz AEPNQQKKXHBOIZ-BNOWGMLFSA-N 0 3 246.354 1.861 20 70 BDIDHN CSCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)CC1 ZINC000159369750 388009698 /nfs/dbraw/zinc/00/96/98/388009698.db2.gz NVIRFFOSXIHHIR-AXFHLTTASA-N 0 3 244.404 1.762 20 70 BDIDHN Cc1cnccc1CNC[C@H]1CCCO1 ZINC000160591022 388077319 /nfs/dbraw/zinc/07/73/19/388077319.db2.gz GYHJJRMEEGJQSR-GFCCVEGCSA-N 0 3 206.289 1.659 20 70 BDIDHN CC[C@](C)(O)CNCc1ccncc1C ZINC000160610941 388078428 /nfs/dbraw/zinc/07/84/28/388078428.db2.gz ADCWPDJLGLGUNF-LBPRGKRZSA-N 0 3 208.305 1.641 20 70 BDIDHN Cc1ccc(CNC(C)(C)[C@@H](C)O)nc1 ZINC000160615732 388078583 /nfs/dbraw/zinc/07/85/83/388078583.db2.gz NYGSUAHUKSOXAH-SNVBAGLBSA-N 0 3 208.305 1.639 20 70 BDIDHN C[C@H](O)C(C)(C)NCc1ccc(CO)o1 ZINC000160625407 388080073 /nfs/dbraw/zinc/08/00/73/388080073.db2.gz MEUYTWXZRYCWNF-QMMMGPOBSA-N 0 3 213.277 1.021 20 70 BDIDHN CCC[C@@H](O)CNCc1ccnn1CC ZINC000160641381 388080802 /nfs/dbraw/zinc/08/08/02/388080802.db2.gz JGJJPHOQSLUXLX-LLVKDONJSA-N 0 3 211.309 1.154 20 70 BDIDHN C[C@@H](CC(N)=O)N[C@@H](C)c1ccsc1 ZINC000160671319 388082577 /nfs/dbraw/zinc/08/25/77/388082577.db2.gz ALXWBZDETFPLDW-YUMQZZPRSA-N 0 3 212.318 1.663 20 70 BDIDHN CC[C@H](N)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000159611534 134781794 /nfs/dbraw/zinc/78/17/94/134781794.db2.gz GEMWEXNJILLBLG-QWRGUYRKSA-N 0 3 212.337 1.618 20 70 BDIDHN O=C1CC[C@@H](CNC/C=C\c2ccccc2)N1 ZINC000217872238 411567117 /nfs/dbraw/zinc/56/71/17/411567117.db2.gz CPFXBPGHWQBJDV-IRBQFCFKSA-N 0 3 230.311 1.568 20 70 BDIDHN Cc1ccc(CN2C[C@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159557276 323036670 /nfs/dbraw/zinc/03/66/70/323036670.db2.gz VTXLVGPMOXPDKT-GXSJLCMTSA-N 0 3 236.315 1.674 20 70 BDIDHN CC(C)[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159733278 323045712 /nfs/dbraw/zinc/04/57/12/323045712.db2.gz BQGGZGASEQCEFU-GXTWGEPZSA-N 0 3 246.354 1.816 20 70 BDIDHN CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN ZINC000217822878 535203960 /nfs/dbraw/zinc/20/39/60/535203960.db2.gz USPZVZKSBQFZDR-MXWKQRLJSA-N 0 3 212.337 1.522 20 70 BDIDHN C[C@@H](NCCN1CCCC1)c1cscn1 ZINC000161141775 538914382 /nfs/dbraw/zinc/91/43/82/538914382.db2.gz HBZNDMVUMZGIAA-SNVBAGLBSA-N 0 3 225.361 1.890 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161394427 398270724 /nfs/dbraw/zinc/27/07/24/398270724.db2.gz XYZZASBPRKZXDO-MWLCHTKSSA-N 0 3 248.326 1.752 20 70 BDIDHN c1c[nH]c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159526947 345441413 /nfs/dbraw/zinc/44/14/13/345441413.db2.gz MSPPXWCGASHPEN-WCQGTBRESA-N 0 3 233.315 1.457 20 70 BDIDHN Cc1ccc(CN2CCC[C@@H]2C(N)=O)c(C)c1 ZINC000160338734 347462263 /nfs/dbraw/zinc/46/22/63/347462263.db2.gz CVEWIYUZEACIDW-CYBMUJFWSA-N 0 3 232.327 1.753 20 70 BDIDHN Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccco1)CC2 ZINC000160483419 180113221 /nfs/dbraw/zinc/11/32/21/180113221.db2.gz SWMZUMUJENZYQP-KOLCDFICSA-N 0 3 246.314 1.845 20 70 BDIDHN CCN(C)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000160558249 357062417 /nfs/dbraw/zinc/06/24/17/357062417.db2.gz HXBMOABVGVHTNP-LBPRGKRZSA-N 0 3 239.363 1.618 20 70 BDIDHN C[C@H](O)[C@H]1CCN(CCC(F)(F)F)C1 ZINC000159470246 361238238 /nfs/dbraw/zinc/23/82/38/361238238.db2.gz IMNDHCJTVPAVML-YUMQZZPRSA-N 0 3 211.227 1.642 20 70 BDIDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](C)N)C1 ZINC000159764783 361288779 /nfs/dbraw/zinc/28/87/79/361288779.db2.gz ZYDIHBBCLBMWKD-NXEZZACHSA-N 0 3 230.377 1.468 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159713524 384350661 /nfs/dbraw/zinc/35/06/61/384350661.db2.gz KGYYCANFZYVEPO-WCFLWFBJSA-N 0 3 232.327 1.786 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159713328 384351451 /nfs/dbraw/zinc/35/14/51/384351451.db2.gz KGYYCANFZYVEPO-CYZMBNFOSA-N 0 3 232.327 1.786 20 70 BDIDHN CC(C)(C)Cc1cc(NC(=O)C2(N)CC2)n[nH]1 ZINC000159435712 384331085 /nfs/dbraw/zinc/33/10/85/384331085.db2.gz WBAIUQORCCSRQA-UHFFFAOYSA-N 0 3 236.319 1.428 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000161053674 384457487 /nfs/dbraw/zinc/45/74/87/384457487.db2.gz AEPNQQKKXHBOIZ-FPMFFAJLSA-N 0 3 246.354 1.861 20 70 BDIDHN C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CN ZINC000161051855 384452704 /nfs/dbraw/zinc/45/27/04/384452704.db2.gz LBJZJPRYCKSJPS-SECBINFHSA-N 0 3 240.734 1.688 20 70 BDIDHN C[C@H](N)C(=O)N1CCc2c1cccc2Cl ZINC000160584913 386253939 /nfs/dbraw/zinc/25/39/39/386253939.db2.gz KFXIOHVAANMOLL-ZETCQYMHSA-N 0 3 224.691 1.576 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000161177272 386603437 /nfs/dbraw/zinc/60/34/37/386603437.db2.gz LIQDDMOPYPRDTH-OUAUKWLOSA-N 0 3 242.363 1.291 20 70 BDIDHN C[C@@]1(C(=O)NC2CCCC2)CCCCN1 ZINC000159553135 388021649 /nfs/dbraw/zinc/02/16/49/388021649.db2.gz HARPMWJYPSEYGX-LBPRGKRZSA-N 0 3 210.321 1.577 20 70 BDIDHN CC(C)(O)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159605317 388023562 /nfs/dbraw/zinc/02/35/62/388023562.db2.gz ZXRXPRYNQNWABA-UHFFFAOYSA-N 0 3 213.252 1.392 20 70 BDIDHN C[C@@H](CO)[C@H](C)N[C@@H](C)c1ccccn1 ZINC000160893479 388099066 /nfs/dbraw/zinc/09/90/66/388099066.db2.gz GKFLOUWVMWIQIL-DCAQKATOSA-N 0 3 208.305 1.749 20 70 BDIDHN C[C@@H]1CCCN1C(=O)[C@]1(C)CCCCN1 ZINC000159578194 411306711 /nfs/dbraw/zinc/30/67/11/411306711.db2.gz AOUPGGFZFMZULA-PWSUYJOCSA-N 0 3 210.321 1.530 20 70 BDIDHN CCc1ncc(CN[C@]2(C)CCOC2)s1 ZINC000160194305 172020919 /nfs/dbraw/zinc/02/09/19/172020919.db2.gz FMIIXQAERZAYGZ-LLVKDONJSA-N 0 3 226.345 1.974 20 70 BDIDHN CNCC(=O)N(C)CC(C)(C)c1ccc(C)cc1 ZINC000161255955 173324479 /nfs/dbraw/zinc/32/44/79/173324479.db2.gz JJYBHASMBHWERX-UHFFFAOYSA-N 0 3 248.370 1.950 20 70 BDIDHN CC[C@@H](C(=O)N(C)Cc1cccn1C)N(C)C ZINC000159530308 323035726 /nfs/dbraw/zinc/03/57/26/323035726.db2.gz ZJCBDHMZYDMUDC-LBPRGKRZSA-N 0 3 237.347 1.324 20 70 BDIDHN Cc1ccoc1CN1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159648087 323042036 /nfs/dbraw/zinc/04/20/36/323042036.db2.gz SKQIMPOUZCYKRU-WDEREUQCSA-N 0 3 236.315 1.674 20 70 BDIDHN CNC(=O)CCN1CCC[C@H]1c1cccc(C)n1 ZINC000159870575 323051100 /nfs/dbraw/zinc/05/11/00/323051100.db2.gz PMIPZCOZQNSCGN-ZDUSSCGKSA-N 0 3 247.342 1.663 20 70 BDIDHN CCN(CCNC(=O)NC1(C)CCC1)C1CC1 ZINC000160494902 323069397 /nfs/dbraw/zinc/06/93/97/323069397.db2.gz PKVZYZFYBIZIIR-UHFFFAOYSA-N 0 3 239.363 1.713 20 70 BDIDHN CC[C@H](C(=O)N[C@H](C)C[C@@H]1CCCO1)N(C)C ZINC000160677357 323102664 /nfs/dbraw/zinc/10/26/64/323102664.db2.gz DDEVZNBFZDKVBV-GRYCIOLGSA-N 0 3 242.363 1.400 20 70 BDIDHN CC[C@H](C(=O)N[C@H](C)C1CCOCC1)N(C)C ZINC000160760544 323106192 /nfs/dbraw/zinc/10/61/92/323106192.db2.gz LGBLAUMPKCURMP-ZYHUDNBSSA-N 0 3 242.363 1.258 20 70 BDIDHN CN(CCCCS(C)(=O)=O)CC1CC1 ZINC000161495808 538915846 /nfs/dbraw/zinc/91/58/46/538915846.db2.gz RKNFCKJOHTXKCM-UHFFFAOYSA-N 0 3 219.350 1.153 20 70 BDIDHN Cn1nccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159585143 136214523 /nfs/dbraw/zinc/21/45/23/136214523.db2.gz KWNUKUWTQKSCJT-UPJWGTAASA-N 0 3 247.342 1.467 20 70 BDIDHN CC(C)C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)C ZINC000160631388 136222154 /nfs/dbraw/zinc/22/21/54/136222154.db2.gz FGOULWFDZZDYNL-RYUDHWBXSA-N 0 3 244.379 1.096 20 70 BDIDHN c1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n[nH]1 ZINC000159611672 345445840 /nfs/dbraw/zinc/44/58/40/345445840.db2.gz FMIMDKLHTQEZSN-UTUOFQBUSA-N 0 3 233.315 1.457 20 70 BDIDHN CSCC[C@@H](C)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000159723481 345496001 /nfs/dbraw/zinc/49/60/01/345496001.db2.gz XJKZXFCOSSVOED-MWLCHTKSSA-N 0 3 248.367 1.288 20 70 BDIDHN Cc1cccc(C)c1CCNC(=O)[C@H](N)C(C)C ZINC000160212830 179032518 /nfs/dbraw/zinc/03/25/18/179032518.db2.gz LFKAURSICIUMKO-CQSZACIVSA-N 0 3 248.370 1.945 20 70 BDIDHN CCCO[C@H]1CCCN(C(=O)[C@@H](C)N)CC1 ZINC000159470532 346422194 /nfs/dbraw/zinc/42/21/94/346422194.db2.gz FJMLXALQXVTTIX-MNOVXSKESA-N 0 3 228.336 1.141 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F ZINC000161019013 349362895 /nfs/dbraw/zinc/36/28/95/349362895.db2.gz LUAMPLPTCPHPQA-NYNCVSEMSA-N 0 3 240.253 1.284 20 70 BDIDHN C[C@@H](O)[C@H]1CCN(CCC(F)(F)F)C1 ZINC000159470382 361237996 /nfs/dbraw/zinc/23/79/96/361237996.db2.gz IMNDHCJTVPAVML-SFYZADRCSA-N 0 3 211.227 1.642 20 70 BDIDHN CC(C)[C@@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159556363 361254591 /nfs/dbraw/zinc/25/45/91/361254591.db2.gz IRRSAGDAIVIKIF-ZYHUDNBSSA-N 0 3 212.337 1.679 20 70 BDIDHN CCCC[C@@H](NC(=O)[C@@H](C)N)C1CCC1 ZINC000160779779 361328934 /nfs/dbraw/zinc/32/89/34/361328934.db2.gz IOJVKPROGWYVQB-MWLCHTKSSA-N 0 3 212.337 1.809 20 70 BDIDHN CC[C@@H](O)CCNCc1ccnn1CC ZINC000160642096 361322295 /nfs/dbraw/zinc/32/22/95/361322295.db2.gz LWRHTKCPUHFVQG-LLVKDONJSA-N 0 3 211.309 1.154 20 70 BDIDHN C[C@@H](N)C(=O)NCCCCC1CCCC1 ZINC000160900271 361332839 /nfs/dbraw/zinc/33/28/39/361332839.db2.gz FVLNHNZZGPDYIC-SNVBAGLBSA-N 0 3 212.337 1.810 20 70 BDIDHN CCCN1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000160388824 169192745 /nfs/dbraw/zinc/19/27/45/169192745.db2.gz PTJBJJLWQVVOMF-RYUDHWBXSA-N 0 3 224.348 1.587 20 70 BDIDHN CCCN1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000160388687 169193680 /nfs/dbraw/zinc/19/36/80/169193680.db2.gz PTJBJJLWQVVOMF-NWDGAFQWSA-N 0 3 224.348 1.587 20 70 BDIDHN CCC[C@@]1(C)CCCN(C(=O)[C@H](C)N)C1 ZINC000160932136 169459769 /nfs/dbraw/zinc/45/97/69/169459769.db2.gz ATGCALRTGNOEKZ-JQWIXIFHSA-N 0 3 212.337 1.762 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161053572 384457107 /nfs/dbraw/zinc/45/71/07/384457107.db2.gz AEPNQQKKXHBOIZ-YUTCNCBUSA-N 0 3 246.354 1.861 20 70 BDIDHN CC[C@H](N)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000161169758 384470983 /nfs/dbraw/zinc/47/09/83/384470983.db2.gz LWTGNQCPZHLFBC-AAEUAGOBSA-N 0 3 234.343 1.952 20 70 BDIDHN CN(CCn1ccnc1)C[C@@H]1CCCCO1 ZINC000161448674 384490897 /nfs/dbraw/zinc/49/08/97/384490897.db2.gz NRMXFTCAIJVBMD-LBPRGKRZSA-N 0 3 223.320 1.384 20 70 BDIDHN C[C@@H](NC[C@H](C)N(C)C)c1cscn1 ZINC000161188442 384900821 /nfs/dbraw/zinc/90/08/21/384900821.db2.gz NVRIQBDPOADROI-DTWKUNHWSA-N 0 3 213.350 1.744 20 70 BDIDHN C(CN1CCN(CC2CC2)CC1)OCC1CC1 ZINC000159404501 388013322 /nfs/dbraw/zinc/01/33/22/388013322.db2.gz YMNBFSBJCATHMT-UHFFFAOYSA-N 0 3 238.375 1.441 20 70 BDIDHN CCC[C@@H](O)CN[C@@H](C)c1ccccn1 ZINC000160891295 388097787 /nfs/dbraw/zinc/09/77/87/388097787.db2.gz NKJSNTIOWLLPRW-WDEREUQCSA-N 0 3 208.305 1.893 20 70 BDIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1nnc(C)s1 ZINC000160914920 171372962 /nfs/dbraw/zinc/37/29/62/171372962.db2.gz FPZHJGAETFEPNN-CAHLUQPWSA-N 0 3 228.321 1.158 20 70 BDIDHN CCn1cc(CNC(C)(C)[C@@H](C)O)cn1 ZINC000160599784 172170045 /nfs/dbraw/zinc/17/00/45/172170045.db2.gz IUWAUTRWKZQSED-SECBINFHSA-N 0 3 211.309 1.152 20 70 BDIDHN COc1cc(CCNC(=O)[C@H](C)N)ccc1C ZINC000160317681 174978389 /nfs/dbraw/zinc/97/83/89/174978389.db2.gz QVMQZVXXTGSMNB-JTQLQIEISA-N 0 3 236.315 1.010 20 70 BDIDHN COc1ccccc1[C@@H]1CCN(C(=O)[C@@H](C)N)C1 ZINC000161437921 175348983 /nfs/dbraw/zinc/34/89/83/175348983.db2.gz BKNMSFMGJHBIEH-GHMZBOCLSA-N 0 3 248.326 1.358 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161258657 175797683 /nfs/dbraw/zinc/79/76/83/175797683.db2.gz SVSDLVCHUIZPMZ-MFKMUULPSA-N 0 3 232.327 1.471 20 70 BDIDHN CC[C@H](N)C(=O)NCCc1cc(F)ccc1F ZINC000159669005 323043368 /nfs/dbraw/zinc/04/33/68/323043368.db2.gz ITQLOTMIVOSRCT-NSHDSACASA-N 0 3 242.269 1.361 20 70 BDIDHN CC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159730698 323045147 /nfs/dbraw/zinc/04/51/47/323045147.db2.gz UUBJEJFFKYNARC-YPMHNXCESA-N 0 3 232.327 1.570 20 70 BDIDHN CC[C@H](N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000159791324 488087305 /nfs/dbraw/zinc/08/73/05/488087305.db2.gz BABFSCSQNORUBN-AVGNSLFASA-N 0 3 232.327 1.644 20 70 BDIDHN CC(C)c1cc(CNC(=O)[C@@H](N)C(C)C)on1 ZINC000160149944 488111681 /nfs/dbraw/zinc/11/16/81/488111681.db2.gz QBNDSMANRCDQJZ-NSHDSACASA-N 0 3 239.319 1.398 20 70 BDIDHN CCCn1nccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000160180988 488112916 /nfs/dbraw/zinc/11/29/16/488112916.db2.gz JUVGHPKFXFOMGG-UPJWGTAASA-N 0 3 235.331 1.703 20 70 BDIDHN C[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C ZINC000161175321 398170250 /nfs/dbraw/zinc/17/02/50/398170250.db2.gz LIQDDMOPYPRDTH-GARJFASQSA-N 0 3 242.363 1.291 20 70 BDIDHN O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC1CC1 ZINC000159679747 345467934 /nfs/dbraw/zinc/46/79/34/345467934.db2.gz ZUJWFQZSCQCKNC-JQWIXIFHSA-N 0 3 222.332 1.530 20 70 BDIDHN CCS[C@@H]1CCCCN(C(=O)[C@@H](N)CC)C1 ZINC000159765761 345523694 /nfs/dbraw/zinc/52/36/94/345523694.db2.gz BEKOXOBGQIBLEJ-MNOVXSKESA-N 0 3 244.404 1.858 20 70 BDIDHN CC[C@@H](O)CCN[C@H](C)c1ccncc1 ZINC000161238152 346153946 /nfs/dbraw/zinc/15/39/46/346153946.db2.gz DQKKQPUPJDLETI-ZYHUDNBSSA-N 0 3 208.305 1.893 20 70 BDIDHN Cc1cccc([C@@H](C)NC(=O)[C@H](C)N)c1C ZINC000160833552 179181226 /nfs/dbraw/zinc/18/12/26/179181226.db2.gz YWQPWMKMHIHMSL-WDEREUQCSA-N 0 3 220.316 1.828 20 70 BDIDHN Cc1cnccc1CNC[C@@H]1CCCO1 ZINC000160590901 179703208 /nfs/dbraw/zinc/70/32/08/179703208.db2.gz GYHJJRMEEGJQSR-LBPRGKRZSA-N 0 3 206.289 1.659 20 70 BDIDHN COCCN(CCCCCO)Cc1ccco1 ZINC000160966623 349344709 /nfs/dbraw/zinc/34/47/09/349344709.db2.gz LXNBKGIDDWLKKF-UHFFFAOYSA-N 0 3 241.331 1.891 20 70 BDIDHN CCc1nn(C)cc1CNC1CC(C)C1 ZINC000161398237 349428154 /nfs/dbraw/zinc/42/81/54/349428154.db2.gz LZDKTYJVXSFPBX-UHFFFAOYSA-N 0 3 207.321 1.871 20 70 BDIDHN C[C@H]1CCCN1C(=O)[C@]1(C)CCCCN1 ZINC000159578304 350241185 /nfs/dbraw/zinc/24/11/85/350241185.db2.gz AOUPGGFZFMZULA-JQWIXIFHSA-N 0 3 210.321 1.530 20 70 BDIDHN C[C@H](NCc1ccc(N(C)C)nc1)[C@@H]1CCCO1 ZINC000159988477 538111534 /nfs/dbraw/zinc/11/15/34/538111534.db2.gz QIZVJOIYTHSGNR-AAEUAGOBSA-N 0 3 249.358 1.805 20 70 BDIDHN CCN(C)CCNC(=O)CCC(C)(C)C ZINC000160145966 353304969 /nfs/dbraw/zinc/30/49/69/353304969.db2.gz YSLYATNDCPIHEF-UHFFFAOYSA-N 0 3 214.353 1.881 20 70 BDIDHN Cc1nccc(N(C)[C@@H]2CCN(C)C[C@@H]2C)n1 ZINC000160425825 188334611 /nfs/dbraw/zinc/33/46/11/188334611.db2.gz RJIMKIQSMSROJJ-CMPLNLGQSA-N 0 3 234.347 1.561 20 70 BDIDHN Cc1ncsc1CN(C)C[C@H](C)CO ZINC000160948106 538456088 /nfs/dbraw/zinc/45/60/88/538456088.db2.gz YXUCCXPKRIPHQP-QMMMGPOBSA-N 0 3 214.334 1.512 20 70 BDIDHN CC[C@H]1CN(C[C@@H](O)C(C)(C)C)CCO1 ZINC000216922608 134178641 /nfs/dbraw/zinc/17/86/41/134178641.db2.gz KNOIPHJPRACUFP-WDEREUQCSA-N 0 3 215.337 1.504 20 70 BDIDHN CC(C)CN(C)C(=O)[C@@]1(C)CCCCN1 ZINC000159563633 361255459 /nfs/dbraw/zinc/25/54/59/361255459.db2.gz AFYJPJBJGBLBJT-GFCCVEGCSA-N 0 3 212.337 1.633 20 70 BDIDHN CC(C)(C)CNC(=O)[C@]1(C)CCCCN1 ZINC000159563913 361256035 /nfs/dbraw/zinc/25/60/35/361256035.db2.gz RKVOHQPALMFKPH-LBPRGKRZSA-N 0 3 212.337 1.681 20 70 BDIDHN CN1CCC[C@H]1CNc1ncnc2c1CCCC2 ZINC000217802137 372014310 /nfs/dbraw/zinc/01/43/10/372014310.db2.gz DZTIUTIZCPQGAT-NSHDSACASA-N 0 3 246.358 1.862 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159720631 384351063 /nfs/dbraw/zinc/35/10/63/384351063.db2.gz KGYYCANFZYVEPO-KGYLQXTDSA-N 0 3 232.327 1.786 20 70 BDIDHN C[C@H](CN[C@H](C)c1cscn1)N(C)C ZINC000161188485 384899733 /nfs/dbraw/zinc/89/97/33/384899733.db2.gz NVRIQBDPOADROI-RKDXNWHRSA-N 0 3 213.350 1.744 20 70 BDIDHN C[C@H](CO)N(C)C[C@@H](O)c1ccccc1 ZINC000218147923 386224850 /nfs/dbraw/zinc/22/48/50/386224850.db2.gz YPKGWHCOIOLMHP-ZYHUDNBSSA-N 0 3 209.289 1.033 20 70 BDIDHN CC(C)N(CCO)CCc1nccs1 ZINC000159745721 388029193 /nfs/dbraw/zinc/02/91/93/388029193.db2.gz QQQBMLNXXODOJH-UHFFFAOYSA-N 0 3 214.334 1.388 20 70 BDIDHN C[C@@H](N[C@@H](C)CC(N)=O)c1cncs1 ZINC000160673104 388083534 /nfs/dbraw/zinc/08/35/34/388083534.db2.gz DUPPRMNMMCQHOP-NKWVEPMBSA-N 0 3 213.306 1.058 20 70 BDIDHN CC[C@@H](C)CN(C)C(=O)[C@H](N)CCSC ZINC000159550321 170696506 /nfs/dbraw/zinc/69/65/06/170696506.db2.gz OBNCABAEGNIUMF-NXEZZACHSA-N 0 3 232.393 1.571 20 70 BDIDHN CNCC(=O)NCC(C)(C)c1cccc(F)c1 ZINC000159704933 173329406 /nfs/dbraw/zinc/32/94/06/173329406.db2.gz WAWGPDQIFXIONF-UHFFFAOYSA-N 0 3 238.306 1.439 20 70 BDIDHN CCN[C@H](C)C(=O)NCCCc1ccccc1 ZINC000218356112 487882928 /nfs/dbraw/zinc/88/29/28/487882928.db2.gz TYNGMZAMYDFLKX-GFCCVEGCSA-N 0 3 234.343 1.733 20 70 BDIDHN c1cn(CCN2CCN(C3CCCC3)CC2)cn1 ZINC000161373278 349435052 /nfs/dbraw/zinc/43/50/52/349435052.db2.gz SLELBXJYCOFNDF-UHFFFAOYSA-N 0 3 248.374 1.443 20 70 BDIDHN C[C@H](CC(=O)N(C)CCN(C)C)c1ccncc1 ZINC000161111885 538914416 /nfs/dbraw/zinc/91/44/16/538914416.db2.gz DLQRTFGUFMWLSU-GFCCVEGCSA-N 0 3 249.358 1.595 20 70 BDIDHN CCc1nc(CN2CCC[C@H]2C(C)(C)O)n[nH]1 ZINC000159414528 136214208 /nfs/dbraw/zinc/21/42/08/136214208.db2.gz ZBFACKWILRABGF-VIFPVBQESA-N 0 3 238.335 1.102 20 70 BDIDHN CN(CCC[NH3+])Cc1cc([O-])cc(F)c1 ZINC000159745751 343202383 /nfs/dbraw/zinc/20/23/83/343202383.db2.gz SMSOOUJMWRDOMD-UHFFFAOYSA-N 0 3 212.268 1.312 20 70 BDIDHN CC(C)(C)CCCNC(=O)C[C@@H]1CNCCO1 ZINC000160538805 323070374 /nfs/dbraw/zinc/07/03/74/323070374.db2.gz WFUBLBOFQGKSSB-LLVKDONJSA-N 0 3 242.363 1.307 20 70 BDIDHN CC[C@@H](CSC)NC[C@@H](O)C(F)(F)F ZINC000217330415 344730397 /nfs/dbraw/zinc/73/03/97/344730397.db2.gz GYGBUBZKWJEHGY-NKWVEPMBSA-N 0 3 231.283 1.641 20 70 BDIDHN CCCN(CCCOCC)CC(=O)N(C)C ZINC000159499809 345437936 /nfs/dbraw/zinc/43/79/36/345437936.db2.gz KGDRYGIBSHQKME-UHFFFAOYSA-N 0 3 230.352 1.213 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000159492633 345438306 /nfs/dbraw/zinc/43/83/06/345438306.db2.gz KUZMSDKZPDNUCJ-HTQZYQBOSA-N 0 3 242.269 1.532 20 70 BDIDHN CC[C@H](N)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000159611391 345445928 /nfs/dbraw/zinc/44/59/28/345445928.db2.gz GEMWEXNJILLBLG-MNOVXSKESA-N 0 3 212.337 1.618 20 70 BDIDHN CC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159730804 345472339 /nfs/dbraw/zinc/47/23/39/345472339.db2.gz UUBJEJFFKYNARC-DGCLKSJQSA-N 0 3 232.327 1.570 20 70 BDIDHN Cn1ccc(CN2CCC(CC(N)=O)CC2)c1 ZINC000159762508 345515319 /nfs/dbraw/zinc/51/53/19/345515319.db2.gz KYSXGAQSDZPQOX-UHFFFAOYSA-N 0 3 235.331 1.113 20 70 BDIDHN CCCN1CCCN(C(=O)C2CC2)CC1 ZINC000160384185 347874520 /nfs/dbraw/zinc/87/45/20/347874520.db2.gz RSVYDYSTSHGCAO-UHFFFAOYSA-N 0 3 210.321 1.341 20 70 BDIDHN CC(C)C1(CNC(=O)[C@@]2(F)CCNC2)CC1 ZINC000160821918 349328673 /nfs/dbraw/zinc/32/86/73/349328673.db2.gz YGMZOJXUCRULQG-GFCCVEGCSA-N 0 3 228.311 1.240 20 70 BDIDHN COC(CN1CCC(n2cccn2)CC1)OC ZINC000161034390 349365288 /nfs/dbraw/zinc/36/52/88/349365288.db2.gz AFKQNTHZPWTUMU-UHFFFAOYSA-N 0 3 239.319 1.139 20 70 BDIDHN Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccco1)CC2 ZINC000160483292 180114126 /nfs/dbraw/zinc/11/41/26/180114126.db2.gz SWMZUMUJENZYQP-MWLCHTKSSA-N 0 3 246.314 1.845 20 70 BDIDHN CC(=O)NC1CCN(CCOCC2CC2)CC1 ZINC000159869190 351014786 /nfs/dbraw/zinc/01/47/86/351014786.db2.gz MYJGQAQXQRLSFH-UHFFFAOYSA-N 0 3 240.347 1.014 20 70 BDIDHN CC[C@H](CSC)NCc1cc(C)nn1C ZINC000217330743 384139213 /nfs/dbraw/zinc/13/92/13/384139213.db2.gz RMHGUWWDLNIDHE-SNVBAGLBSA-N 0 3 227.377 1.960 20 70 BDIDHN Cc1ccc(NC(=O)[C@H](C)N)cc1OC(F)F ZINC000160091473 384385128 /nfs/dbraw/zinc/38/51/28/384385128.db2.gz DQLVBIVJTRBFQF-ZETCQYMHSA-N 0 3 244.241 1.882 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000161053914 384453404 /nfs/dbraw/zinc/45/34/04/384453404.db2.gz AEPNQQKKXHBOIZ-MRVWCRGKSA-N 0 3 246.354 1.861 20 70 BDIDHN COC(C)(C)C[C@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000160966851 384483825 /nfs/dbraw/zinc/48/38/25/384483825.db2.gz ZUWGDPWHVBKDDR-QWRGUYRKSA-N 0 3 242.363 1.448 20 70 BDIDHN CCc1nc(CN(C)CC2CCOCC2)n[nH]1 ZINC000160211780 384661324 /nfs/dbraw/zinc/66/13/24/384661324.db2.gz GIPNKOXGXWLPON-UHFFFAOYSA-N 0 3 238.335 1.226 20 70 BDIDHN CC[C@H](N)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000160935780 384862394 /nfs/dbraw/zinc/86/23/94/384862394.db2.gz JSOXWCBVRLNUJI-DCAQKATOSA-N 0 3 212.337 1.761 20 70 BDIDHN CCC[C@@H](O)CN[C@@H](C)c1ccncc1 ZINC000161234128 384945591 /nfs/dbraw/zinc/94/55/91/384945591.db2.gz BIMJMHJOLHXZKY-CMPLNLGQSA-N 0 3 208.305 1.893 20 70 BDIDHN Cc1nn(C)cc1CN[C@@H]1CCCSC1 ZINC000160162690 386002583 /nfs/dbraw/zinc/00/25/83/386002583.db2.gz VQULZOOEYHFNHP-LLVKDONJSA-N 0 3 225.361 1.714 20 70 BDIDHN C[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C ZINC000160902527 386539939 /nfs/dbraw/zinc/53/99/39/386539939.db2.gz ZRXMOHLCBMEDHS-NTZNESFSSA-N 0 3 232.327 1.738 20 70 BDIDHN C[C@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000161198748 386606396 /nfs/dbraw/zinc/60/63/96/386606396.db2.gz VJAZMWOVWNNMKV-JTQLQIEISA-N 0 3 248.326 1.581 20 70 BDIDHN O[C@@H](C1CCN(CCCF)CC1)C(F)(F)F ZINC000161205236 387149901 /nfs/dbraw/zinc/14/99/01/387149901.db2.gz LJTGSLQIJTWJPB-VIFPVBQESA-N 0 3 243.244 1.981 20 70 BDIDHN C[C@H](CC(N)=O)N[C@H](C)c1ccsc1 ZINC000160671694 388083344 /nfs/dbraw/zinc/08/33/44/388083344.db2.gz ALXWBZDETFPLDW-HTQZYQBOSA-N 0 3 212.318 1.663 20 70 BDIDHN CCC[C@H](O)CN[C@H](C)c1ccccn1 ZINC000160891429 388098827 /nfs/dbraw/zinc/09/88/27/388098827.db2.gz NKJSNTIOWLLPRW-MNOVXSKESA-N 0 3 208.305 1.893 20 70 BDIDHN COCCCCCNCc1ccnn1C ZINC000218240864 134252724 /nfs/dbraw/zinc/25/27/24/134252724.db2.gz FKHVFHMRWIRHIO-UHFFFAOYSA-N 0 3 211.309 1.326 20 70 BDIDHN CC[C@@H](NC(=O)[C@@H](C)N)c1ccc(F)cc1F ZINC000161208220 170880526 /nfs/dbraw/zinc/88/05/26/170880526.db2.gz FWRSEFDNPCSJAO-RDDDGLTNSA-N 0 3 242.269 1.879 20 70 BDIDHN CC[C@H](C(=O)N[C@@H](C)C[C@@H]1CCCO1)N(C)C ZINC000160677143 323102647 /nfs/dbraw/zinc/10/26/47/323102647.db2.gz DDEVZNBFZDKVBV-SDDRHHMPSA-N 0 3 242.363 1.400 20 70 BDIDHN CC[C@@H](C(=O)N[C@@H](C)C1CCOCC1)N(C)C ZINC000160760155 323106108 /nfs/dbraw/zinc/10/61/08/323106108.db2.gz LGBLAUMPKCURMP-JQWIXIFHSA-N 0 3 242.363 1.258 20 70 BDIDHN CC(=O)C1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1 ZINC000218616858 592167637 /nfs/dbraw/zinc/16/76/37/592167637.db2.gz QCUBXOJTSDLYRF-LLVKDONJSA-N 0 3 240.347 1.187 20 70 BDIDHN CC[C@@H]1CO[C@H](C)CN1C[C@@H](C)CO ZINC000160921403 538913277 /nfs/dbraw/zinc/91/32/77/538913277.db2.gz UHEOXWMCOKTZBR-GMTAPVOTSA-N 0 3 201.310 1.114 20 70 BDIDHN CCN(CCCOC)Cc1cnn(C)c1 ZINC000161124861 398341541 /nfs/dbraw/zinc/34/15/41/398341541.db2.gz JSUQBTHBLXPVSJ-UHFFFAOYSA-N 0 3 211.309 1.279 20 70 BDIDHN C[C@@H]1CN(CCn2ccnc2)C[C@@H](C)S1 ZINC000159853228 323050824 /nfs/dbraw/zinc/05/08/24/323050824.db2.gz KRXFUGZWCOKQDR-GHMZBOCLSA-N 0 3 225.361 1.709 20 70 BDIDHN CC[C@@H]1CCC[C@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000159366736 345428042 /nfs/dbraw/zinc/42/80/42/345428042.db2.gz UPQQIHDHZPYEJO-MDZLAQPJSA-N 0 3 242.338 1.773 20 70 BDIDHN CC[C@H](C(=O)N[C@H](C)CC(C)(C)OC)N(C)C ZINC000160894163 323138503 /nfs/dbraw/zinc/13/85/03/323138503.db2.gz QMDRCNKDOAJJAZ-GHMZBOCLSA-N 0 3 244.379 1.646 20 70 BDIDHN CC[C@@H](C(=O)N[C@H](C)CC(C)(C)OC)N(C)C ZINC000160894032 350869685 /nfs/dbraw/zinc/86/96/85/350869685.db2.gz QMDRCNKDOAJJAZ-MNOVXSKESA-N 0 3 244.379 1.646 20 70 BDIDHN C[C@@H](N)C(=O)N1CCCC2(CCCCC2)C1 ZINC000159858703 351013838 /nfs/dbraw/zinc/01/38/38/351013838.db2.gz UGRNLCVBIYIZED-LLVKDONJSA-N 0 3 224.348 1.907 20 70 BDIDHN CCCC[C@@H](COC)NC(=O)[C@@H](N)C(C)C ZINC000161166853 353278483 /nfs/dbraw/zinc/27/84/83/353278483.db2.gz VDGIGSJVTZBZJZ-QWRGUYRKSA-N 0 3 230.352 1.291 20 70 BDIDHN CC[C@H](NCC(C)(C)O)c1cnn(C)c1 ZINC000160589217 538885135 /nfs/dbraw/zinc/88/51/35/538885135.db2.gz QIQGZXUHXBZFMV-JTQLQIEISA-N 0 3 211.309 1.232 20 70 BDIDHN CCS[C@@H]1CCCCN(C(=O)[C@H](C)N)C1 ZINC000159763942 361287308 /nfs/dbraw/zinc/28/73/08/361287308.db2.gz ZYDIHBBCLBMWKD-VHSXEESVSA-N 0 3 230.377 1.468 20 70 BDIDHN CC(C)[C@H](C(=O)NC1CC=CC1)N(C)C ZINC000159451451 541494438 /nfs/dbraw/zinc/49/44/38/541494438.db2.gz FGOVVRAOAKQVMN-LLVKDONJSA-N 0 3 210.321 1.407 20 70 BDIDHN COC(=O)C1(N(C)CCCCCO)CCCC1 ZINC000159366122 206090643 /nfs/dbraw/zinc/09/06/43/206090643.db2.gz GHSQDIVBPHTXGR-UHFFFAOYSA-N 0 3 243.347 1.567 20 70 BDIDHN C[C@@H](NCCCN1CCCC1=O)c1ccco1 ZINC000159560253 384340814 /nfs/dbraw/zinc/34/08/14/384340814.db2.gz ZKMAQJAJFRFDKB-LLVKDONJSA-N 0 3 236.315 1.943 20 70 BDIDHN CCC[C@@H](N)C(=O)N1CCOC[C@H]1CC(C)C ZINC000159630810 384344758 /nfs/dbraw/zinc/34/47/58/384344758.db2.gz OADUACCBNHAFGF-VXGBXAGGSA-N 0 3 242.363 1.387 20 70 BDIDHN CCN(C)CCN[C@H](C)c1cscn1 ZINC000161174594 384470413 /nfs/dbraw/zinc/47/04/13/384470413.db2.gz LUSABZUPZCTUBQ-SECBINFHSA-N 0 3 213.350 1.745 20 70 BDIDHN CCN(CCO)Cc1ccc(F)cc1C ZINC000161228814 384933870 /nfs/dbraw/zinc/93/38/70/384933870.db2.gz ZOICLTIZJXLEIE-UHFFFAOYSA-N 0 3 211.280 1.948 20 70 BDIDHN CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC000161084217 385151163 /nfs/dbraw/zinc/15/11/63/385151163.db2.gz DQCDOLISRWQCRK-NEPJUHHUSA-N 0 3 240.347 1.156 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C ZINC000161176525 386603194 /nfs/dbraw/zinc/60/31/94/386603194.db2.gz LIQDDMOPYPRDTH-VWYCJHECSA-N 0 3 242.363 1.291 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161228807 386609948 /nfs/dbraw/zinc/60/99/48/386609948.db2.gz RMEFQVHMVTVQOJ-IUCAKERBSA-N 0 3 200.326 1.665 20 70 BDIDHN C(CN1CCCSCC1)OC[C@H]1CCCO1 ZINC000161481664 387227861 /nfs/dbraw/zinc/22/78/61/387227861.db2.gz JSWHHZIQUBPVKH-GFCCVEGCSA-N 0 3 245.388 1.621 20 70 BDIDHN CCC1(CNC(=O)[C@H]2CCCCN2)CC1 ZINC000159632218 388025142 /nfs/dbraw/zinc/02/51/42/388025142.db2.gz QQHZLEVRTLNLLJ-SNVBAGLBSA-N 0 3 210.321 1.435 20 70 BDIDHN CCOCCCN1CCN(CC2CC2)CC1 ZINC000159406594 388013488 /nfs/dbraw/zinc/01/34/88/388013488.db2.gz RCSSDFPTRBUKPV-UHFFFAOYSA-N 0 3 226.364 1.441 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000161021202 388023471 /nfs/dbraw/zinc/02/34/71/388023471.db2.gz LUAMPLPTCPHPQA-XSSZXYGBSA-N 0 3 240.253 1.284 20 70 BDIDHN c1cnn([C@H]2CCCN(CCOCC3CC3)C2)c1 ZINC000160250572 388055287 /nfs/dbraw/zinc/05/52/87/388055287.db2.gz FMJROTMMODNWBG-AWEZNQCLSA-N 0 3 249.358 1.947 20 70 BDIDHN C[C@H](NCC(C)(C)O)c1cncc(F)c1 ZINC000160638248 388079914 /nfs/dbraw/zinc/07/99/14/388079914.db2.gz PILWKHBOLQKOSD-QMMMGPOBSA-N 0 3 212.268 1.642 20 70 BDIDHN CN(C)Cc1ccccc1CNC(=O)C(F)F ZINC000218692142 398101806 /nfs/dbraw/zinc/10/18/06/398101806.db2.gz QBZKXDKZXYRVMX-UHFFFAOYSA-N 0 3 242.269 1.630 20 70 BDIDHN C[C@@H]1CCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000159574474 411306696 /nfs/dbraw/zinc/30/66/96/411306696.db2.gz MKNRXMQKQRSVJC-PWSUYJOCSA-N 0 3 210.321 1.387 20 70 BDIDHN CCc1ncnc(NC[C@@H]2CCCN2C)c1F ZINC000217991263 172031628 /nfs/dbraw/zinc/03/16/28/172031628.db2.gz ZUHLDGLZVMZLPQ-VIFPVBQESA-N 0 3 238.310 1.684 20 70 BDIDHN CNCC(=O)Nc1cc(CC(C)(C)C)[nH]n1 ZINC000159436835 173333106 /nfs/dbraw/zinc/33/31/06/173333106.db2.gz NDJICFLJECWTDU-UHFFFAOYSA-N 0 3 224.308 1.156 20 70 BDIDHN C[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159602265 175800488 /nfs/dbraw/zinc/80/04/88/175800488.db2.gz DELZYDKAYPGTLB-MRVPVSSYSA-N 0 3 232.283 1.491 20 70 BDIDHN C[C@@H](O)C(C)(C)NCc1cccc(O)c1 ZINC000160616380 175944781 /nfs/dbraw/zinc/94/47/81/175944781.db2.gz BAFRZISEMXWWHC-SECBINFHSA-N 0 3 209.289 1.641 20 70 BDIDHN C[C@@H]1C[C@H](C)CN1Cc1cnc(N)s1 ZINC000161298681 177319966 /nfs/dbraw/zinc/31/99/66/177319966.db2.gz KUBIDTKLKSNXQK-JGVFFNPUSA-N 0 3 211.334 1.956 20 70 BDIDHN COc1ccc([C@@H](C)NCCO)cc1Cl ZINC000159688050 323043918 /nfs/dbraw/zinc/04/39/18/323043918.db2.gz HJLLRCMCAOTIQD-MRVPVSSYSA-N 0 3 229.707 1.992 20 70 BDIDHN CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCCN1C ZINC000159710486 323044454 /nfs/dbraw/zinc/04/44/54/323044454.db2.gz BXCQTDOJEFVKII-RYUDHWBXSA-N 0 3 241.379 1.814 20 70 BDIDHN CS[C@H](C)CNC(=O)NC[C@H]1CCCN1C ZINC000159720192 323044619 /nfs/dbraw/zinc/04/46/19/323044619.db2.gz OYKUUOKZUQOIAR-NXEZZACHSA-N 0 3 245.392 1.131 20 70 BDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC ZINC000160558537 323071305 /nfs/dbraw/zinc/07/13/05/323071305.db2.gz YMPIZGWQPSMZHN-UWVGGRQHSA-N 0 3 243.351 1.199 20 70 BDIDHN NC(=O)[C@@H](NC1CC=CC1)c1ccccc1 ZINC000160898463 538913417 /nfs/dbraw/zinc/91/34/17/538913417.db2.gz PTZCDHUPALHMGV-LBPRGKRZSA-N 0 3 216.284 1.521 20 70 BDIDHN C[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000161175197 398169911 /nfs/dbraw/zinc/16/99/11/398169911.db2.gz LIQDDMOPYPRDTH-AXFHLTTASA-N 0 3 242.363 1.291 20 70 BDIDHN Cc1cc(NC(=O)C(C)(C)N)cnc1Cl ZINC000160239817 178124478 /nfs/dbraw/zinc/12/44/78/178124478.db2.gz YCEJCYVWNCDHIR-UHFFFAOYSA-N 0 3 227.695 1.719 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H](C)CCC(C)(C)C ZINC000161229639 136273943 /nfs/dbraw/zinc/27/39/43/136273943.db2.gz RMEFQVHMVTVQOJ-RKDXNWHRSA-N 0 3 200.326 1.665 20 70 BDIDHN CC(C)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000159654154 345450968 /nfs/dbraw/zinc/45/09/68/345450968.db2.gz GJOQLNWJQNLFRC-RYUDHWBXSA-N 0 3 224.348 1.776 20 70 BDIDHN CC(C)[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159733166 345505814 /nfs/dbraw/zinc/50/58/14/345505814.db2.gz BQGGZGASEQCEFU-JSGCOSHPSA-N 0 3 246.354 1.816 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1C ZINC000159880865 345581622 /nfs/dbraw/zinc/58/16/22/345581622.db2.gz JZEDQGPXBHPLOZ-HOTUBEGUSA-N 0 3 218.300 1.383 20 70 BDIDHN C[C@H](NC(=O)[C@@]1(C)CCCCN1)C1CC1 ZINC000159558617 350238666 /nfs/dbraw/zinc/23/86/66/350238666.db2.gz PPBHOKKCAQRIBE-JOYOIKCWSA-N 0 3 210.321 1.433 20 70 BDIDHN Cc1ncsc1CNC(C)(C)[C@H](C)O ZINC000160619794 180320480 /nfs/dbraw/zinc/32/04/80/180320480.db2.gz PNPPFDGSXWGLMH-QMMMGPOBSA-N 0 3 214.334 1.701 20 70 BDIDHN CCOCCCN1CCC[C@H](NC(=O)CC)C1 ZINC000159943798 351124828 /nfs/dbraw/zinc/12/48/28/351124828.db2.gz FHVGPFQULJTVBP-LBPRGKRZSA-N 0 3 242.363 1.404 20 70 BDIDHN CCN(CCNCc1nccs1)C1CC1 ZINC000218180656 351300885 /nfs/dbraw/zinc/30/08/85/351300885.db2.gz FFUVCNOAPKIPQY-UHFFFAOYSA-N 0 3 225.361 1.717 20 70 BDIDHN c1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n[nH]1 ZINC000159611518 351870242 /nfs/dbraw/zinc/87/02/42/351870242.db2.gz FMIMDKLHTQEZSN-SRVKXCTJSA-N 0 3 233.315 1.457 20 70 BDIDHN CC[C@@H](CSC)NC[C@H](O)C(F)(F)F ZINC000217330418 357840657 /nfs/dbraw/zinc/84/06/57/357840657.db2.gz GYGBUBZKWJEHGY-BQBZGAKWSA-N 0 3 231.283 1.641 20 70 BDIDHN CC[C@H](CSC)NC[C@H](O)C(F)(F)F ZINC000217330419 357840914 /nfs/dbraw/zinc/84/09/14/357840914.db2.gz GYGBUBZKWJEHGY-RQJHMYQMSA-N 0 3 231.283 1.641 20 70 BDIDHN CCCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000217722192 134250691 /nfs/dbraw/zinc/25/06/91/134250691.db2.gz KYSAEQAHNJZOTC-NEPJUHHUSA-N 0 3 240.347 1.108 20 70 BDIDHN CCS[C@H]1CCCCN(C(=O)[C@@H](C)N)C1 ZINC000159764876 361288390 /nfs/dbraw/zinc/28/83/90/361288390.db2.gz ZYDIHBBCLBMWKD-ZJUUUORDSA-N 0 3 230.377 1.468 20 70 BDIDHN C[C@@H](N)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000159877430 361292852 /nfs/dbraw/zinc/29/28/52/361292852.db2.gz XPAVXCNADTUMIC-ZNSHCXBVSA-N 0 3 210.321 1.513 20 70 BDIDHN C[C@]1(C(=O)N2CCSCC2)CCCCN1 ZINC000159560203 361254544 /nfs/dbraw/zinc/25/45/44/361254544.db2.gz JGKSBLYKUAOGTM-LLVKDONJSA-N 0 3 228.361 1.094 20 70 BDIDHN C[C@@H](NC(=O)[C@]1(C)CCCCN1)C1CC1 ZINC000159558476 361254569 /nfs/dbraw/zinc/25/45/69/361254569.db2.gz PPBHOKKCAQRIBE-SKDRFNHKSA-N 0 3 210.321 1.433 20 70 BDIDHN C[C@@]1(C(=O)N2CCSCC2)CCCCN1 ZINC000159560312 361254918 /nfs/dbraw/zinc/25/49/18/361254918.db2.gz JGKSBLYKUAOGTM-NSHDSACASA-N 0 3 228.361 1.094 20 70 BDIDHN CCN(CC)CCCCS(C)(=O)=O ZINC000161242203 541356795 /nfs/dbraw/zinc/35/67/95/541356795.db2.gz MVGNERGLCNQXQT-UHFFFAOYSA-N 0 3 207.339 1.153 20 70 BDIDHN OC1(CN2Cc3ccccc3C2)CCOCC1 ZINC000160024209 183018640 /nfs/dbraw/zinc/01/86/40/183018640.db2.gz NCWDSELNPMPPSR-UHFFFAOYSA-N 0 3 233.311 1.544 20 70 BDIDHN CCCN1CCCN(C(=O)C(C)(C)C)CC1 ZINC000160402118 169192016 /nfs/dbraw/zinc/19/20/16/169192016.db2.gz JJQBTRGIUDOPPK-UHFFFAOYSA-N 0 3 226.364 1.977 20 70 BDIDHN Cc1ccc(NC(=O)[C@@H](C)N)cc1OC(F)F ZINC000160091768 384385389 /nfs/dbraw/zinc/38/53/89/384385389.db2.gz DQLVBIVJTRBFQF-SSDOTTSWSA-N 0 3 244.241 1.882 20 70 BDIDHN CC(C)[C@@H](O)CN[C@H](C)c1ccncc1 ZINC000161234806 384943058 /nfs/dbraw/zinc/94/30/58/384943058.db2.gz DOSRMNSFKWEAIU-PWSUYJOCSA-N 0 3 208.305 1.749 20 70 BDIDHN CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N)C12CCCC2 ZINC000161110385 385505083 /nfs/dbraw/zinc/50/50/83/385505083.db2.gz KJLQENRHMSEIHQ-GARJFASQSA-N 0 3 240.347 1.188 20 70 BDIDHN CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CNC ZINC000161384332 385928445 /nfs/dbraw/zinc/92/84/45/385928445.db2.gz DFDITGSKAFNYMZ-AWEZNQCLSA-N 0 3 248.370 1.994 20 70 BDIDHN CC[C@H](O)CCN[C@@H](C)c1ccccn1 ZINC000159388749 385953227 /nfs/dbraw/zinc/95/32/27/385953227.db2.gz FGLIZKXGEUMIHA-QWRGUYRKSA-N 0 3 208.305 1.893 20 70 BDIDHN CC[C@@H](C)[C@@H](N)C(=O)NCC1(C)CCC1 ZINC000160830172 386233565 /nfs/dbraw/zinc/23/35/65/386233565.db2.gz ZVXFGZZXKVOEGI-NXEZZACHSA-N 0 3 212.337 1.666 20 70 BDIDHN Cc1cnccc1CN[C@@H]1CCCOC1 ZINC000160599153 388078789 /nfs/dbraw/zinc/07/87/89/388078789.db2.gz HGZPYHWOMVCTFV-GFCCVEGCSA-N 0 3 206.289 1.659 20 70 BDIDHN C[C@H](CC(N)=O)N[C@@H](C)c1ccsc1 ZINC000160671456 388083558 /nfs/dbraw/zinc/08/35/58/388083558.db2.gz ALXWBZDETFPLDW-SFYZADRCSA-N 0 3 212.318 1.663 20 70 BDIDHN C[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000161175432 388791854 /nfs/dbraw/zinc/79/18/54/388791854.db2.gz LIQDDMOPYPRDTH-HBNTYKKESA-N 0 3 242.363 1.291 20 70 BDIDHN CC(C)c1ccc(C(=O)NCCN(C)C)cn1 ZINC000160974626 397773045 /nfs/dbraw/zinc/77/30/45/397773045.db2.gz HMNXAIJTNJDUQF-UHFFFAOYSA-N 0 3 235.331 1.496 20 70 BDIDHN CCc1ncc(CN[C@@]2(C)CCOC2)s1 ZINC000160194428 172020485 /nfs/dbraw/zinc/02/04/85/172020485.db2.gz FMIIXQAERZAYGZ-NSHDSACASA-N 0 3 226.345 1.974 20 70 BDIDHN C[C@H]1CN(CCn2ccnc2)C[C@H](C)S1 ZINC000159853121 323050846 /nfs/dbraw/zinc/05/08/46/323050846.db2.gz KRXFUGZWCOKQDR-QWRGUYRKSA-N 0 3 225.361 1.709 20 70 BDIDHN CC[C@H](N)C(=O)Nc1ccccc1N(C)C(C)=O ZINC000160146147 323061276 /nfs/dbraw/zinc/06/12/76/323061276.db2.gz HINZQMMYXWHYNI-JTQLQIEISA-N 0 3 249.314 1.345 20 70 BDIDHN CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)C1 ZINC000217827341 535679856 /nfs/dbraw/zinc/67/98/56/535679856.db2.gz UFDKMKLAEAIRMQ-VWYCJHECSA-N 0 3 212.337 1.809 20 70 BDIDHN CCC[C@H](O)CNCc1cncn1CC ZINC000217722156 535716151 /nfs/dbraw/zinc/71/61/51/535716151.db2.gz ZEQZXYNLSQCSRC-NSHDSACASA-N 0 3 211.309 1.154 20 70 BDIDHN CCCCN(CCOC)C(=O)[C@@H](N)C(C)C ZINC000159551754 398342077 /nfs/dbraw/zinc/34/20/77/398342077.db2.gz GCCLNKFVFSFVCB-NSHDSACASA-N 0 3 230.352 1.245 20 70 BDIDHN CC[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)CC1 ZINC000159569234 345443503 /nfs/dbraw/zinc/44/35/03/345443503.db2.gz MWJVSAOLBFKTNM-WCQYABFASA-N 0 3 242.338 1.727 20 70 BDIDHN Cc1ncccc1CN1CCC(CC(N)=O)CC1 ZINC000159829656 345556808 /nfs/dbraw/zinc/55/68/08/345556808.db2.gz DFUKQGUYFOBBHA-UHFFFAOYSA-N 0 3 247.342 1.477 20 70 BDIDHN CCc1nnc(C[NH2+][C@@H](C)C2CCOCC2)[n-]1 ZINC000160465312 348607845 /nfs/dbraw/zinc/60/78/45/348607845.db2.gz UGRHIWVWOLLGKL-VIFPVBQESA-N 0 3 238.335 1.272 20 70 BDIDHN CCc1nnc(CN[C@@H](C)C2CCOCC2)[nH]1 ZINC000160465312 348607849 /nfs/dbraw/zinc/60/78/49/348607849.db2.gz UGRHIWVWOLLGKL-VIFPVBQESA-N 0 3 238.335 1.272 20 70 BDIDHN C[C@]1(C(=O)Nc2nncs2)CCCCN1 ZINC000159546629 361251277 /nfs/dbraw/zinc/25/12/77/361251277.db2.gz VRQYVEOPYIPLFL-SECBINFHSA-N 0 3 226.305 1.009 20 70 BDIDHN NC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000159820401 181327006 /nfs/dbraw/zinc/32/70/06/181327006.db2.gz GXTVHHPWUHXRMI-CYBMUJFWSA-N 0 3 244.338 1.615 20 70 BDIDHN NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1 ZINC000159715199 181354095 /nfs/dbraw/zinc/35/40/95/181354095.db2.gz LRDUUWQVZADGHI-NWDGAFQWSA-N 0 3 218.300 1.398 20 70 BDIDHN CCCN1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160387934 169193512 /nfs/dbraw/zinc/19/35/12/169193512.db2.gz DGRYLLYOQKSFGW-GFCCVEGCSA-N 0 3 240.347 1.110 20 70 BDIDHN C[C@@H](N)C(=O)N(C)[C@@H]1CCc2ccccc2C1 ZINC000160119361 384386042 /nfs/dbraw/zinc/38/60/42/384386042.db2.gz ONYCJMGVRIGEFX-ZWNOBZJWSA-N 0 3 232.327 1.350 20 70 BDIDHN C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CN ZINC000161051741 384452901 /nfs/dbraw/zinc/45/29/01/384452901.db2.gz LBJZJPRYCKSJPS-VIFPVBQESA-N 0 3 240.734 1.688 20 70 BDIDHN CCC[C@H](O)CN[C@H](C)c1ccncc1 ZINC000161234259 384945821 /nfs/dbraw/zinc/94/58/21/384945821.db2.gz BIMJMHJOLHXZKY-PWSUYJOCSA-N 0 3 208.305 1.893 20 70 BDIDHN CN(C)[C@H](CNC(=O)C(F)F)c1ccccc1 ZINC000217656020 385889323 /nfs/dbraw/zinc/88/93/23/385889323.db2.gz WAWFQRFOJPTWJT-SNVBAGLBSA-N 0 3 242.269 1.671 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C ZINC000161177393 386602594 /nfs/dbraw/zinc/60/25/94/386602594.db2.gz LIQDDMOPYPRDTH-GMTAPVOTSA-N 0 3 242.363 1.291 20 70 BDIDHN C[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1 ZINC000161196687 386602641 /nfs/dbraw/zinc/60/26/41/386602641.db2.gz BFICZDSUYDRPAE-VIFPVBQESA-N 0 3 238.306 1.567 20 70 BDIDHN CCCC1(CNC(=O)C(C)S(C)(=O)=O)CC1 ZINC000160693022 387111760 /nfs/dbraw/zinc/11/17/60/387111760.db2.gz DZAIHFYOBNYWLK-SECBINFHSA-N 0 3 247.360 1.116 20 70 BDIDHN CN(CCOCC1CC1)C[C@@H]1CCCCO1 ZINC000159536242 388020315 /nfs/dbraw/zinc/02/03/15/388020315.db2.gz KGZRTNXWFBPGPZ-ZDUSSCGKSA-N 0 3 227.348 1.914 20 70 BDIDHN C[C@H](CC(N)=O)N[C@@H](C)c1cncs1 ZINC000160672977 388083546 /nfs/dbraw/zinc/08/35/46/388083546.db2.gz DUPPRMNMMCQHOP-RQJHMYQMSA-N 0 3 213.306 1.058 20 70 BDIDHN CC(C)[C@H](O)CN[C@@H](C)c1ccccn1 ZINC000160891960 388099484 /nfs/dbraw/zinc/09/94/84/388099484.db2.gz XSSZXSAIMVQCNM-CMPLNLGQSA-N 0 3 208.305 1.749 20 70 BDIDHN CC(C)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N(C)C ZINC000160793079 398054764 /nfs/dbraw/zinc/05/47/64/398054764.db2.gz FGOULWFDZZDYNL-NWDGAFQWSA-N 0 3 244.379 1.096 20 70 BDIDHN CC[C@@H]1CN(C[C@@H](O)C(C)(C)C)CCO1 ZINC000216922590 171084700 /nfs/dbraw/zinc/08/47/00/171084700.db2.gz KNOIPHJPRACUFP-GHMZBOCLSA-N 0 3 215.337 1.504 20 70 BDIDHN CNCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C ZINC000159886146 173328211 /nfs/dbraw/zinc/32/82/11/173328211.db2.gz KIQWFFWHLMZHRP-OLZOCXBDSA-N 0 3 246.354 1.919 20 70 BDIDHN C[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C ZINC000160904132 177338190 /nfs/dbraw/zinc/33/81/90/177338190.db2.gz ZRXMOHLCBMEDHS-DMDPSCGWSA-N 0 3 232.327 1.738 20 70 BDIDHN CC[C@H](N)C(=O)NCCCc1cccc(F)c1 ZINC000159452803 322969471 /nfs/dbraw/zinc/96/94/71/322969471.db2.gz OWJIWJXTFDUJMM-LBPRGKRZSA-N 0 3 238.306 1.612 20 70 BDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC ZINC000160558417 323071338 /nfs/dbraw/zinc/07/13/38/323071338.db2.gz YMPIZGWQPSMZHN-ZJUUUORDSA-N 0 3 243.351 1.199 20 70 BDIDHN C[C@H](N[C@H]1CCCN(C)C1)c1cscn1 ZINC000161162170 538914421 /nfs/dbraw/zinc/91/44/21/538914421.db2.gz IXVQPHXMVBPYLN-UWVGGRQHSA-N 0 3 225.361 1.888 20 70 BDIDHN Cc1cccc(C(=O)NC[C@@H](C)N(C)C)c1F ZINC000161454962 349453346 /nfs/dbraw/zinc/45/33/46/349453346.db2.gz TZZYKOYDOGPQRU-SNVBAGLBSA-N 0 3 238.306 1.814 20 70 BDIDHN COC(CN1CCS[C@H]2CCCC[C@@H]21)OC ZINC000161494390 349465263 /nfs/dbraw/zinc/46/52/63/349465263.db2.gz KFSJNJXKRPYWKK-QWRGUYRKSA-N 0 3 245.388 1.965 20 70 BDIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccsc1 ZINC000159684644 323043751 /nfs/dbraw/zinc/04/37/51/323043751.db2.gz BMSQTWWPSPBULW-MWLCHTKSSA-N 0 3 238.356 1.834 20 70 BDIDHN C[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159727024 345503143 /nfs/dbraw/zinc/50/31/43/345503143.db2.gz YVZHUXYMUXXLFU-GXSJLCMTSA-N 0 3 218.300 1.180 20 70 BDIDHN CC[C@@H](NCCCO)c1ccc(F)cn1 ZINC000161312269 346168461 /nfs/dbraw/zinc/16/84/61/346168461.db2.gz KLPRLGMHNDNSIM-SNVBAGLBSA-N 0 3 212.268 1.644 20 70 BDIDHN CC[C@@H](O)CCN[C@@H](C)c1ccncc1 ZINC000161237871 346153339 /nfs/dbraw/zinc/15/33/39/346153339.db2.gz DQKKQPUPJDLETI-CMPLNLGQSA-N 0 3 208.305 1.893 20 70 BDIDHN CCc1nnc(C[NH2+][C@H](CCO)C(C)(C)C)[n-]1 ZINC000160546912 349170432 /nfs/dbraw/zinc/17/04/32/349170432.db2.gz XEAMOTVHERWITM-SECBINFHSA-N 0 3 240.351 1.254 20 70 BDIDHN CCCO[C@@H]1CCCN(CC(OC)OC)CC1 ZINC000161026770 349363779 /nfs/dbraw/zinc/36/37/79/349363779.db2.gz GPGUQBCOCHYCFY-GFCCVEGCSA-N 0 3 245.363 1.886 20 70 BDIDHN Fc1cncc(CNC[C@H]2CCCO2)c1 ZINC000160124335 350674530 /nfs/dbraw/zinc/67/45/30/350674530.db2.gz KVWSHMILALIXDG-LLVKDONJSA-N 0 3 210.252 1.489 20 70 BDIDHN NCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159715337 181353248 /nfs/dbraw/zinc/35/32/48/181353248.db2.gz LRDUUWQVZADGHI-VXGBXAGGSA-N 0 3 218.300 1.398 20 70 BDIDHN CCC[C@H](O)CN[C@@H](C)c1ccccn1 ZINC000160891145 169519569 /nfs/dbraw/zinc/51/95/69/169519569.db2.gz NKJSNTIOWLLPRW-QWRGUYRKSA-N 0 3 208.305 1.893 20 70 BDIDHN CC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1 ZINC000161086897 384645711 /nfs/dbraw/zinc/64/57/11/384645711.db2.gz QUJHDTLAVWLOKX-LURJTMIESA-N 0 3 227.289 1.022 20 70 BDIDHN c1ncc(CN2CCN3CCC[C@@H]3C2)s1 ZINC000161282497 384958549 /nfs/dbraw/zinc/95/85/49/384958549.db2.gz MEBALDTXALOXAL-SNVBAGLBSA-N 0 3 223.345 1.423 20 70 BDIDHN CCCN(CCO)Cc1cnc2c(C)cccn12 ZINC000161219513 387148004 /nfs/dbraw/zinc/14/80/04/387148004.db2.gz HDECNLHQGMIUCH-UHFFFAOYSA-N 0 3 247.342 1.847 20 70 BDIDHN CSC[C@H](CCO)N[C@@H](C)c1cncs1 ZINC000160232374 388054436 /nfs/dbraw/zinc/05/44/36/388054436.db2.gz KHMPKBFZXKZUGK-IUCAKERBSA-N 0 3 246.401 1.908 20 70 BDIDHN CCc1nnc(C[NH2+][C@@H](C)[C@H](C)CC)[n-]1 ZINC000160454196 388066739 /nfs/dbraw/zinc/06/67/39/388066739.db2.gz YCRUXUQLWCNSHX-BDAKNGLRSA-N 0 3 210.325 1.891 20 70 BDIDHN CCc1nnc(CN[C@@H](C)[C@H](C)CC)[nH]1 ZINC000160454196 388066744 /nfs/dbraw/zinc/06/67/44/388066744.db2.gz YCRUXUQLWCNSHX-BDAKNGLRSA-N 0 3 210.325 1.891 20 70 BDIDHN CCOCCC1(C(=O)NCCN(C)C)CCC1 ZINC000160558445 388074539 /nfs/dbraw/zinc/07/45/39/388074539.db2.gz BGOWKXNOPJGDOE-UHFFFAOYSA-N 0 3 242.363 1.261 20 70 BDIDHN Cc1cnccc1CN[C@H]1CCCOC1 ZINC000160599281 388078550 /nfs/dbraw/zinc/07/85/50/388078550.db2.gz HGZPYHWOMVCTFV-LBPRGKRZSA-N 0 3 206.289 1.659 20 70 BDIDHN C[C@@H](CC(N)=O)N[C@@H](C)c1cncs1 ZINC000160672857 388083323 /nfs/dbraw/zinc/08/33/23/388083323.db2.gz DUPPRMNMMCQHOP-BQBZGAKWSA-N 0 3 213.306 1.058 20 70 BDIDHN CCO[C@H]1C[C@@H](NC(=O)[C@H](C)N)C12CCCC2 ZINC000161110755 388428629 /nfs/dbraw/zinc/42/86/29/388428629.db2.gz KJLQENRHMSEIHQ-AXFHLTTASA-N 0 3 240.347 1.188 20 70 BDIDHN Cc1nc(N(C)CCN(C)C)nc2ccccc12 ZINC000218481830 411898395 /nfs/dbraw/zinc/89/83/95/411898395.db2.gz LHHMVRBTSDZWQB-UHFFFAOYSA-N 0 3 244.342 1.936 20 70 BDIDHN COC[C@@H](C)CNCc1ncccc1C ZINC000159630709 323040957 /nfs/dbraw/zinc/04/09/57/323040957.db2.gz GKZIARLMMXVALF-JTQLQIEISA-N 0 3 208.305 1.762 20 70 BDIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cccn1C ZINC000159685684 323043916 /nfs/dbraw/zinc/04/39/16/323043916.db2.gz KQESGSMYDOQCQW-GHMZBOCLSA-N 0 3 235.331 1.111 20 70 BDIDHN CCN1CCC[C@@H]1CNC(=O)C(C)(C)COC ZINC000160331391 323064834 /nfs/dbraw/zinc/06/48/34/323064834.db2.gz DXQFMGCAHRCFOL-LLVKDONJSA-N 0 3 242.363 1.260 20 70 BDIDHN CCN1CCC(NC(=O)C(C)(C)COC)CC1 ZINC000160338936 323065094 /nfs/dbraw/zinc/06/50/94/323065094.db2.gz FWEWQYAWPGXUJC-UHFFFAOYSA-N 0 3 242.363 1.260 20 70 BDIDHN CC(C)[C@H](O)CCNC(=O)C1(N)CCCCC1 ZINC000160898948 323138518 /nfs/dbraw/zinc/13/85/18/323138518.db2.gz AEUNTNLIJQBHHJ-LLVKDONJSA-N 0 3 242.363 1.171 20 70 BDIDHN CS[C@H]1CCC[C@H](NC(=O)C2(N)CC2)C1 ZINC000159569527 345443999 /nfs/dbraw/zinc/44/39/99/345443999.db2.gz YBAZGGVUZNOGCJ-IUCAKERBSA-N 0 3 228.361 1.268 20 70 BDIDHN CCCC[C@@H](COC)NC(=O)[C@@H](N)CC ZINC000161165830 346031533 /nfs/dbraw/zinc/03/15/33/346031533.db2.gz NLSYJCVAUJGSRH-UWVGGRQHSA-N 0 3 216.325 1.045 20 70 BDIDHN Cc1cccc(C)c1CCNC(=O)[C@@H](N)C(C)C ZINC000160212962 179033347 /nfs/dbraw/zinc/03/33/47/179033347.db2.gz LFKAURSICIUMKO-AWEZNQCLSA-N 0 3 248.370 1.945 20 70 BDIDHN CN(C[C@H]1CCCN1C)C(=O)NC1CCCC1 ZINC000160666275 349286349 /nfs/dbraw/zinc/28/63/49/349286349.db2.gz GNKYXYHPLOTLHS-GFCCVEGCSA-N 0 3 239.363 1.665 20 70 BDIDHN Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccco1)CC2 ZINC000160483051 180114022 /nfs/dbraw/zinc/11/40/22/180114022.db2.gz SWMZUMUJENZYQP-GXSJLCMTSA-N 0 3 246.314 1.845 20 70 BDIDHN CN(C)c1ccc(CN2CCCC2)cn1 ZINC000159663517 538878492 /nfs/dbraw/zinc/87/84/92/538878492.db2.gz UNPRCVKFTAHRPE-UHFFFAOYSA-N 0 3 205.305 1.743 20 70 BDIDHN C[C@@H](NC(=O)[C@@]1(C)CCCCN1)C1CC1 ZINC000159558739 361254890 /nfs/dbraw/zinc/25/48/90/361254890.db2.gz PPBHOKKCAQRIBE-BXKDBHETSA-N 0 3 210.321 1.433 20 70 BDIDHN C[C@H](NCCCN1CCCC1=O)c1ccco1 ZINC000159560123 384340324 /nfs/dbraw/zinc/34/03/24/384340324.db2.gz ZKMAQJAJFRFDKB-NSHDSACASA-N 0 3 236.315 1.943 20 70 BDIDHN C[C@H](N)C(=O)NCc1ccccc1OCC1CC1 ZINC000160099416 384384664 /nfs/dbraw/zinc/38/46/64/384384664.db2.gz AMDNACHOVPOHAH-JTQLQIEISA-N 0 3 248.326 1.439 20 70 BDIDHN CCN(C)CCN[C@@H](C)c1cscn1 ZINC000161174459 384470267 /nfs/dbraw/zinc/47/02/67/384470267.db2.gz LUSABZUPZCTUBQ-VIFPVBQESA-N 0 3 213.350 1.745 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161257993 385606355 /nfs/dbraw/zinc/60/63/55/385606355.db2.gz SVSDLVCHUIZPMZ-GWCFXTLKSA-N 0 3 232.327 1.471 20 70 BDIDHN C[C@H](CCO)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159612822 386066425 /nfs/dbraw/zinc/06/64/25/386066425.db2.gz DBQMOACHJBNBBO-MRVPVSSYSA-N 0 3 213.252 1.392 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160889151 386433594 /nfs/dbraw/zinc/43/35/94/386433594.db2.gz VMCVLWFZNCLSNO-VWYCJHECSA-N 0 3 220.316 1.642 20 70 BDIDHN CSC[C@@H](CCO)N[C@H](C)c1cncs1 ZINC000160232757 388054550 /nfs/dbraw/zinc/05/45/50/388054550.db2.gz KHMPKBFZXKZUGK-RKDXNWHRSA-N 0 3 246.401 1.908 20 70 BDIDHN C[C@H](O)C(C)(C)NCc1cncs1 ZINC000160597540 388078386 /nfs/dbraw/zinc/07/83/86/388078386.db2.gz MEHJLUBSBKZMCW-ZETCQYMHSA-N 0 3 200.307 1.392 20 70 BDIDHN CC[C@H](O)CCNCc1cnccc1C ZINC000218764776 398089224 /nfs/dbraw/zinc/08/92/24/398089224.db2.gz IOZKZKKCJMSXNT-LBPRGKRZSA-N 0 3 208.305 1.641 20 70 BDIDHN C[C@H]1CCCN1C(=O)[C@@]1(C)CCCCN1 ZINC000159578559 411306597 /nfs/dbraw/zinc/30/65/97/411306597.db2.gz AOUPGGFZFMZULA-CMPLNLGQSA-N 0 3 210.321 1.530 20 70 BDIDHN C[C@@H]1C[C@H](N2CCN3CCCC[C@@H]3C2)CCO1 ZINC000218584802 411918932 /nfs/dbraw/zinc/91/89/32/411918932.db2.gz DNHNUBJNDZEYIU-MGPQQGTHSA-N 0 3 238.375 1.724 20 70 BDIDHN CCN1CCC(NC(=O)c2[nH]c(C)cc2C)CC1 ZINC000159587200 323039199 /nfs/dbraw/zinc/03/91/99/323039199.db2.gz IQDVNYOJDSEDCO-UHFFFAOYSA-N 0 3 249.358 1.846 20 70 BDIDHN CCC[C@](C)(N)C(=O)N(C)CCSC ZINC000159597772 323039946 /nfs/dbraw/zinc/03/99/46/323039946.db2.gz FEOJTLZFCYCVAQ-JTQLQIEISA-N 0 3 218.366 1.325 20 70 BDIDHN CCc1ccc(CNC2(CO)CC2)s1 ZINC000159644995 323041917 /nfs/dbraw/zinc/04/19/17/323041917.db2.gz LNRWXMBUSDZFIG-UHFFFAOYSA-N 0 3 211.330 1.925 20 70 BDIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1cccn1C ZINC000159685817 323043846 /nfs/dbraw/zinc/04/38/46/323043846.db2.gz KQESGSMYDOQCQW-WDEREUQCSA-N 0 3 235.331 1.111 20 70 BDIDHN CC[C@H](CSC)NCCS(=O)(=O)CC ZINC000217330046 589397310 /nfs/dbraw/zinc/39/73/10/589397310.db2.gz RZUFUGWUEGLNAC-SECBINFHSA-N 0 3 239.406 1.152 20 70 BDIDHN C[C@H]1SCCN(C(=O)CNC2CC2)[C@H]1C ZINC000159623175 323030148 /nfs/dbraw/zinc/03/01/48/323030148.db2.gz CZLBZAAEPVJGNL-DTWKUNHWSA-N 0 3 228.361 1.091 20 70 BDIDHN CCCN(CC)C(=O)[C@@]1(C)CCCCN1 ZINC000159562238 345442853 /nfs/dbraw/zinc/44/28/53/345442853.db2.gz CEKWLZZSOSOIKL-GFCCVEGCSA-N 0 3 212.337 1.777 20 70 BDIDHN CNCC(=O)NCc1ccccc1OC1CCC1 ZINC000159709411 345492097 /nfs/dbraw/zinc/49/20/97/345492097.db2.gz ROVZHJUGSCOVHD-UHFFFAOYSA-N 0 3 248.326 1.454 20 70 BDIDHN CSCC[C@H](C)N(C)C(=O)[C@@]1(F)CCNC1 ZINC000159723361 345496107 /nfs/dbraw/zinc/49/61/07/345496107.db2.gz XJKZXFCOSSVOED-GXSJLCMTSA-N 0 3 248.367 1.288 20 70 BDIDHN Cc1ncc(CNC(C)(C)[C@H](C)O)s1 ZINC000160614481 180149324 /nfs/dbraw/zinc/14/93/24/180149324.db2.gz RSHIMNLEIJBBLB-ZETCQYMHSA-N 0 3 214.334 1.701 20 70 BDIDHN Cc1ncsc1CNC(C)(C)[C@@H](C)O ZINC000160619675 180320106 /nfs/dbraw/zinc/32/01/06/180320106.db2.gz PNPPFDGSXWGLMH-MRVPVSSYSA-N 0 3 214.334 1.701 20 70 BDIDHN Cc1nn(C)cc1CN[C@H]1CCCSC1 ZINC000160162840 180375780 /nfs/dbraw/zinc/37/57/80/180375780.db2.gz VQULZOOEYHFNHP-NSHDSACASA-N 0 3 225.361 1.714 20 70 BDIDHN CCOCCN1CCN(c2ccncc2)CC1 ZINC000161285092 538111611 /nfs/dbraw/zinc/11/16/11/538111611.db2.gz CDIKBGMARBXAIW-UHFFFAOYSA-N 0 3 235.331 1.240 20 70 BDIDHN C[C@@H](NCc1ccc(N(C)C)nc1)[C@H]1CCCO1 ZINC000159988809 538881039 /nfs/dbraw/zinc/88/10/39/538881039.db2.gz QIZVJOIYTHSGNR-DGCLKSJQSA-N 0 3 249.358 1.805 20 70 BDIDHN [NH3+][C@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000159743039 361286335 /nfs/dbraw/zinc/28/63/35/361286335.db2.gz ZSQOKZJVGJGNEE-JTQLQIEISA-N 0 3 210.252 1.064 20 70 BDIDHN CC(C)[C@H](C)NC(=O)[C@@]1(C)CCCCN1 ZINC000159556492 361255038 /nfs/dbraw/zinc/25/50/38/361255038.db2.gz IRRSAGDAIVIKIF-CMPLNLGQSA-N 0 3 212.337 1.679 20 70 BDIDHN CC(C)CN(C)C(=O)[C@]1(C)CCCCN1 ZINC000159563504 361255372 /nfs/dbraw/zinc/25/53/72/361255372.db2.gz AFYJPJBJGBLBJT-LBPRGKRZSA-N 0 3 212.337 1.633 20 70 BDIDHN CC[C@H]1CCN([C@H](C(=O)OC)C2CC2)C1 ZINC000159601281 361265526 /nfs/dbraw/zinc/26/55/26/361265526.db2.gz FXXJIEGKXUFHHE-ONGXEEELSA-N 0 3 211.305 1.670 20 70 BDIDHN CC(C)N1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161404099 368144939 /nfs/dbraw/zinc/14/49/39/368144939.db2.gz DACSXFIENSLDQS-NSHDSACASA-N 0 3 234.347 1.812 20 70 BDIDHN CCC[C@@]1(C)CCCN(C(=O)[C@@H](C)N)C1 ZINC000160932664 169459995 /nfs/dbraw/zinc/45/99/95/169459995.db2.gz ATGCALRTGNOEKZ-PWSUYJOCSA-N 0 3 212.337 1.762 20 70 BDIDHN CC[C@H](N)C(=O)N[C@@H](C)Cc1c(C)noc1C ZINC000161364952 384483184 /nfs/dbraw/zinc/48/31/84/384483184.db2.gz OZPWQMOESSGUCO-CPCISQLKSA-N 0 3 239.319 1.076 20 70 BDIDHN Cc1cnccc1CN[C@H]1CCC[C@@H]1O ZINC000160609012 385024606 /nfs/dbraw/zinc/02/46/06/385024606.db2.gz WQEKUGFLKNKONE-RYUDHWBXSA-N 0 3 206.289 1.393 20 70 BDIDHN C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161258109 385607303 /nfs/dbraw/zinc/60/73/03/385607303.db2.gz SVSDLVCHUIZPMZ-GXFFZTMASA-N 0 3 232.327 1.471 20 70 BDIDHN CSC(C)(C)CNCc1cn(C)nc1C ZINC000160161370 385999169 /nfs/dbraw/zinc/99/91/69/385999169.db2.gz LXHBABLYSFPROJ-UHFFFAOYSA-N 0 3 227.377 1.960 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 ZINC000161393620 386077813 /nfs/dbraw/zinc/07/78/13/386077813.db2.gz XYZZASBPRKZXDO-GXSJLCMTSA-N 0 3 248.326 1.752 20 70 BDIDHN CCN(C)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000160558385 387270497 /nfs/dbraw/zinc/27/04/97/387270497.db2.gz HXBMOABVGVHTNP-GFCCVEGCSA-N 0 3 239.363 1.618 20 70 BDIDHN CC[C@H](CSC)N(C)C[C@H](O)C(F)(F)F ZINC000159670430 388025573 /nfs/dbraw/zinc/02/55/73/388025573.db2.gz VPLYGTVPXKAKEY-SFYZADRCSA-N 0 3 245.310 1.983 20 70 BDIDHN C[C@@H](NCCC(C)(C)O)c1cnn(C)c1 ZINC000159842365 388034132 /nfs/dbraw/zinc/03/41/32/388034132.db2.gz VWBDDLNEGZBMQX-SECBINFHSA-N 0 3 211.309 1.232 20 70 BDIDHN CC(C)[C@@H](O)CN[C@H](C)c1ccccn1 ZINC000160892362 388099230 /nfs/dbraw/zinc/09/92/30/388099230.db2.gz XSSZXSAIMVQCNM-PWSUYJOCSA-N 0 3 208.305 1.749 20 70 BDIDHN C[C@@H](CO)N(C)C[C@@H](O)c1ccccc1 ZINC000218147855 388576969 /nfs/dbraw/zinc/57/69/69/388576969.db2.gz YPKGWHCOIOLMHP-CMPLNLGQSA-N 0 3 209.289 1.033 20 70 BDIDHN C[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000159602001 397764595 /nfs/dbraw/zinc/76/45/95/397764595.db2.gz DELZYDKAYPGTLB-QMMMGPOBSA-N 0 3 232.283 1.491 20 70 BDIDHN CCc1ncnc(NCCN(C)C2CC2)c1F ZINC000217989170 172032396 /nfs/dbraw/zinc/03/23/96/172032396.db2.gz QKVSGMGLSXQKIZ-UHFFFAOYSA-N 0 3 238.310 1.684 20 70 BDIDHN CN(C)[C@@H](CNC(=O)C(F)F)c1ccccc1 ZINC000217655941 172521326 /nfs/dbraw/zinc/52/13/26/172521326.db2.gz WAWFQRFOJPTWJT-JTQLQIEISA-N 0 3 242.269 1.671 20 70 BDIDHN CNCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C ZINC000159885731 173328113 /nfs/dbraw/zinc/32/81/13/173328113.db2.gz KIQWFFWHLMZHRP-QWHCGFSZSA-N 0 3 246.354 1.919 20 70 BDIDHN CNCC(=O)NC[C@@H](C)Cc1cccs1 ZINC000161092708 173329370 /nfs/dbraw/zinc/32/93/70/173329370.db2.gz PRYKPRGBINGORK-VIFPVBQESA-N 0 3 226.345 1.262 20 70 BDIDHN CC(C)C[C@H](C)NC(=O)NC1CCN(C)CC1 ZINC000159565889 323037272 /nfs/dbraw/zinc/03/72/72/323037272.db2.gz PKRVCPINTWLERF-NSHDSACASA-N 0 3 241.379 1.814 20 70 BDIDHN CCN(CC(=O)NC(C)C)CC(C)(C)C ZINC000160411599 323065849 /nfs/dbraw/zinc/06/58/49/323065849.db2.gz OCBHMAHIKBRGIU-UHFFFAOYSA-N 0 3 214.353 1.879 20 70 BDIDHN Cn1cnnc1CN1CCC[C@@H]1C1CCCC1 ZINC000160830264 323136752 /nfs/dbraw/zinc/13/67/52/323136752.db2.gz AVSJXZISWDAZOM-GFCCVEGCSA-N 0 3 234.347 1.970 20 70 BDIDHN CC[C@H](N)C(=O)NCc1cc(C(C)C)no1 ZINC000160149372 488111133 /nfs/dbraw/zinc/11/11/33/488111133.db2.gz YXUUIYFAWIPIBE-VIFPVBQESA-N 0 3 225.292 1.152 20 70 BDIDHN CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217597665 490473712 /nfs/dbraw/zinc/47/37/12/490473712.db2.gz YLDCMDHQRJBMDD-VPOLOUISSA-N 0 3 212.337 1.535 20 70 BDIDHN CC(C)C[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C ZINC000160631496 136222158 /nfs/dbraw/zinc/22/21/58/136222158.db2.gz FGOULWFDZZDYNL-NEPJUHHUSA-N 0 3 244.379 1.096 20 70 BDIDHN CCN1CCCN(C(=O)NCCC(C)C)CC1 ZINC000159508825 345439269 /nfs/dbraw/zinc/43/92/69/345439269.db2.gz FDYYRIQNDJUOES-UHFFFAOYSA-N 0 3 241.379 1.770 20 70 BDIDHN CCC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159732220 345504941 /nfs/dbraw/zinc/50/49/41/345504941.db2.gz OHTASXJYVDQDRZ-GXTWGEPZSA-N 0 3 246.354 1.960 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000159880729 345581930 /nfs/dbraw/zinc/58/19/30/345581930.db2.gz JZEDQGPXBHPLOZ-VDDIYKPWSA-N 0 3 218.300 1.383 20 70 BDIDHN CC(C)OCCCNC(=O)[C@H](C(C)C)N(C)C ZINC000160330470 347258433 /nfs/dbraw/zinc/25/84/33/347258433.db2.gz BXYLDUIPZZNCIP-LBPRGKRZSA-N 0 3 244.379 1.504 20 70 BDIDHN CCCN1CCCN(C(=O)CC(C)C)CC1 ZINC000160384625 347875391 /nfs/dbraw/zinc/87/53/91/347875391.db2.gz MRPXOAJHWYULIV-UHFFFAOYSA-N 0 3 226.364 1.977 20 70 BDIDHN C[C@@H](CO)N(C)C(=O)[C@H](C)N1CCCCCC1 ZINC000160501926 348924352 /nfs/dbraw/zinc/92/43/52/348924352.db2.gz CPTZTMNTYQBCJM-RYUDHWBXSA-N 0 3 242.363 1.090 20 70 BDIDHN C[C@H](CO)N(C)C(=O)[C@@H](C)N1CCCCCC1 ZINC000160501799 348924546 /nfs/dbraw/zinc/92/45/46/348924546.db2.gz CPTZTMNTYQBCJM-VXGBXAGGSA-N 0 3 242.363 1.090 20 70 BDIDHN CN(C[C@@H]1CCCN1C)C(=O)NC1CCCC1 ZINC000160666400 349286450 /nfs/dbraw/zinc/28/64/50/349286450.db2.gz GNKYXYHPLOTLHS-LBPRGKRZSA-N 0 3 239.363 1.665 20 70 BDIDHN CCC[C@@H](O)CNCc1ccnc(C)n1 ZINC000217746985 134249690 /nfs/dbraw/zinc/24/96/90/134249690.db2.gz VRIKJVOAECXTPJ-LLVKDONJSA-N 0 3 209.293 1.036 20 70 BDIDHN CC[C@@H](O)CCN[C@@H](C)c1ccccn1 ZINC000159388875 361232751 /nfs/dbraw/zinc/23/27/51/361232751.db2.gz FGLIZKXGEUMIHA-WDEREUQCSA-N 0 3 208.305 1.893 20 70 BDIDHN Fc1cncc(CNC[C@@H]2CCCO2)c1 ZINC000160124203 361300707 /nfs/dbraw/zinc/30/07/07/361300707.db2.gz KVWSHMILALIXDG-NSHDSACASA-N 0 3 210.252 1.489 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000159717614 384352245 /nfs/dbraw/zinc/35/22/45/384352245.db2.gz KGYYCANFZYVEPO-RAIGVLPGSA-N 0 3 232.327 1.786 20 70 BDIDHN C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000160902398 384446839 /nfs/dbraw/zinc/44/68/39/384446839.db2.gz ZRXMOHLCBMEDHS-GVXVVHGQSA-N 0 3 232.327 1.738 20 70 BDIDHN CN(CCOCC1CC1)C[C@H]1CCCO1 ZINC000160271948 384702611 /nfs/dbraw/zinc/70/26/11/384702611.db2.gz XTNGBZIMMFERGT-GFCCVEGCSA-N 0 3 213.321 1.524 20 70 BDIDHN CCC[C@]1(C)CCCN(C(=O)[C@H](C)N)C1 ZINC000160932093 384844883 /nfs/dbraw/zinc/84/48/83/384844883.db2.gz ATGCALRTGNOEKZ-CMPLNLGQSA-N 0 3 212.337 1.762 20 70 BDIDHN C[C@H](CN[C@@H](C)c1cscn1)N(C)C ZINC000161188318 384900742 /nfs/dbraw/zinc/90/07/42/384900742.db2.gz NVRIQBDPOADROI-BDAKNGLRSA-N 0 3 213.350 1.744 20 70 BDIDHN CCC[C@H](O)CN[C@@H](C)c1ccncc1 ZINC000161234008 384945809 /nfs/dbraw/zinc/94/58/09/384945809.db2.gz BIMJMHJOLHXZKY-JQWIXIFHSA-N 0 3 208.305 1.893 20 70 BDIDHN c1c[nH]c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159527078 385942309 /nfs/dbraw/zinc/94/23/09/385942309.db2.gz MSPPXWCGASHPEN-DLOVCJGASA-N 0 3 233.315 1.457 20 70 BDIDHN CCC[C@@H](O)CNCc1cncn1CC ZINC000217722065 134250380 /nfs/dbraw/zinc/25/03/80/134250380.db2.gz ZEQZXYNLSQCSRC-LLVKDONJSA-N 0 3 211.309 1.154 20 70 BDIDHN CSCC[C@H](N)C(=O)N1CCC2(CCC2)C1 ZINC000160621341 134833835 /nfs/dbraw/zinc/83/38/35/134833835.db2.gz HNBBYNZYZDBCJV-JTQLQIEISA-N 0 3 242.388 1.469 20 70 BDIDHN CCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160551892 170061012 /nfs/dbraw/zinc/06/10/12/170061012.db2.gz VAQVRTDECIZQCG-QWRGUYRKSA-N 0 3 210.321 1.387 20 70 BDIDHN CNCC(=O)NCCc1cc(C)cc(C)c1 ZINC000160590205 173329378 /nfs/dbraw/zinc/32/93/78/173329378.db2.gz VJGINCLBNQLKQZ-UHFFFAOYSA-N 0 3 220.316 1.182 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000160890652 176022792 /nfs/dbraw/zinc/02/27/92/176022792.db2.gz VMCVLWFZNCLSNO-GMTAPVOTSA-N 0 3 220.316 1.642 20 70 BDIDHN C[C@@H]1C[C@@H](C)N(Cc2cnc(N)s2)C1 ZINC000161298587 176364202 /nfs/dbraw/zinc/36/42/02/176364202.db2.gz KUBIDTKLKSNXQK-HTQZYQBOSA-N 0 3 211.334 1.956 20 70 BDIDHN Cc1ccc(CN2C[C@@H](C(N)=O)CC[C@@H]2C)o1 ZINC000159557420 323036686 /nfs/dbraw/zinc/03/66/86/323036686.db2.gz VTXLVGPMOXPDKT-ONGXEEELSA-N 0 3 236.315 1.674 20 70 BDIDHN CCCC[C@@H](COC)NC(=O)[C@H](N)C(C)C ZINC000161166615 323149658 /nfs/dbraw/zinc/14/96/58/323149658.db2.gz VDGIGSJVTZBZJZ-WDEREUQCSA-N 0 3 230.352 1.291 20 70 BDIDHN C[C@@](O)(CO)CNC/C=C\c1ccccc1 ZINC000218266960 490516192 /nfs/dbraw/zinc/51/61/92/490516192.db2.gz NXJSUMYZKHOYQW-UJZCVKTISA-N 0 3 221.300 1.033 20 70 BDIDHN CCS[C@H]1CCCCN(C(=O)[C@@H](N)CC)C1 ZINC000159765591 535722810 /nfs/dbraw/zinc/72/28/10/535722810.db2.gz BEKOXOBGQIBLEJ-QWRGUYRKSA-N 0 3 244.404 1.858 20 70 BDIDHN CN(C(=O)Nc1cccnc1)C1CCN(C)CC1 ZINC000217264662 592103617 /nfs/dbraw/zinc/10/36/17/592103617.db2.gz SBQGHFORUDIKKZ-UHFFFAOYSA-N 0 3 248.330 1.640 20 70 BDIDHN CCN1CCC[C@H]1CNC(=O)C1(C)CC1 ZINC000159573373 323038299 /nfs/dbraw/zinc/03/82/99/323038299.db2.gz VAGATSMPSCAHRB-JTQLQIEISA-N 0 3 210.321 1.387 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000161229549 133512714 /nfs/dbraw/zinc/51/27/14/133512714.db2.gz RMEFQVHMVTVQOJ-DTWKUNHWSA-N 0 3 200.326 1.665 20 70 BDIDHN CC[C@@H]1CCC[C@@H](NC(=O)[C@]2(F)CCNC2)C1 ZINC000159366973 345427500 /nfs/dbraw/zinc/42/75/00/345427500.db2.gz UPQQIHDHZPYEJO-WZRBSPASSA-N 0 3 242.338 1.773 20 70 BDIDHN CCC[C@@H](N)C(=O)N1CCOC[C@@H]1CC(C)C ZINC000159630566 345447489 /nfs/dbraw/zinc/44/74/89/345447489.db2.gz OADUACCBNHAFGF-NWDGAFQWSA-N 0 3 242.363 1.387 20 70 BDIDHN CCC[C@H](N)C(=O)N1CCOC[C@@H]1CC(C)C ZINC000159630435 345447530 /nfs/dbraw/zinc/44/75/30/345447530.db2.gz OADUACCBNHAFGF-RYUDHWBXSA-N 0 3 242.363 1.387 20 70 BDIDHN CC[C@H](NCCOC)c1ccc(F)cn1 ZINC000161303620 346168063 /nfs/dbraw/zinc/16/80/63/346168063.db2.gz DMGMSGDBQLZFOA-JTQLQIEISA-N 0 3 212.268 1.908 20 70 BDIDHN CS[C@@H]1CCC[C@H](NC(=O)C2(N)CC2)C1 ZINC000159569376 350240164 /nfs/dbraw/zinc/24/01/64/350240164.db2.gz YBAZGGVUZNOGCJ-DTWKUNHWSA-N 0 3 228.361 1.268 20 70 BDIDHN CC[C@@H](O)CCNCc1cnccc1C ZINC000218764742 363130971 /nfs/dbraw/zinc/13/09/71/363130971.db2.gz IOZKZKKCJMSXNT-GFCCVEGCSA-N 0 3 208.305 1.641 20 70 BDIDHN C[C@@H](NCc1ccc(N(C)C)nc1)[C@@H]1CCCO1 ZINC000159988598 538880979 /nfs/dbraw/zinc/88/09/79/538880979.db2.gz QIZVJOIYTHSGNR-YPMHNXCESA-N 0 3 249.358 1.805 20 70 BDIDHN CN(C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1 ZINC000160730184 357658780 /nfs/dbraw/zinc/65/87/80/357658780.db2.gz UQPBUXGDSKBESK-NSHDSACASA-N 0 3 237.347 1.275 20 70 BDIDHN CSCC[C@@H](N)C(=O)N[C@H](C)CC1CC1 ZINC000159854896 361293306 /nfs/dbraw/zinc/29/33/06/361293306.db2.gz ONDZYEXKYDHLHK-PSASIEDQSA-N 0 3 230.377 1.372 20 70 BDIDHN CCC[C@@H](N)C(=O)NC(C)(CC)CC ZINC000160040580 169388323 /nfs/dbraw/zinc/38/83/23/169388323.db2.gz PZQNLGRBUNCKMB-SECBINFHSA-N 0 3 200.326 1.809 20 70 BDIDHN C[C@@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1 ZINC000159645891 384349006 /nfs/dbraw/zinc/34/90/06/384349006.db2.gz QXPJIXXKEQZAQL-RISCZKNCSA-N 0 3 248.326 1.108 20 70 BDIDHN C[C@H](NCCO)c1cccc(N2CCCC2=O)c1 ZINC000159700420 384352046 /nfs/dbraw/zinc/35/20/46/384352046.db2.gz DYGFJOLNOVDFCS-NSHDSACASA-N 0 3 248.326 1.456 20 70 BDIDHN C[C@H](N)C(=O)N(C)[C@H]1CCc2ccccc2C1 ZINC000160118975 384384477 /nfs/dbraw/zinc/38/44/77/384384477.db2.gz ONYCJMGVRIGEFX-GWCFXTLKSA-N 0 3 232.327 1.350 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000160890875 384444036 /nfs/dbraw/zinc/44/40/36/384444036.db2.gz VMCVLWFZNCLSNO-MXWKQRLJSA-N 0 3 220.316 1.642 20 70 BDIDHN CC(C)[C@H](O)CN[C@H](C)c1ccncc1 ZINC000161234710 384475564 /nfs/dbraw/zinc/47/55/64/384475564.db2.gz DOSRMNSFKWEAIU-ZYHUDNBSSA-N 0 3 208.305 1.749 20 70 BDIDHN CC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1 ZINC000161259422 384475705 /nfs/dbraw/zinc/47/57/05/384475705.db2.gz KUYBKEFHXLITFN-KBPBESRZSA-N 0 3 246.354 1.861 20 70 BDIDHN C(CN1CCCSCC1)OCC1CC1 ZINC000161484386 384495209 /nfs/dbraw/zinc/49/52/09/384495209.db2.gz MXUHWSHKQPASCK-UHFFFAOYSA-N 0 3 215.362 1.852 20 70 BDIDHN CCSCCN(C)[C@H]1CCCCNC1=O ZINC000160296100 384660392 /nfs/dbraw/zinc/66/03/92/384660392.db2.gz VMSUNYWMYCUMMN-JTQLQIEISA-N 0 3 230.377 1.340 20 70 BDIDHN C[C@@H](NC(=O)[C@H](C)N)[C@@H](C)c1ccccc1 ZINC000160889285 386433543 /nfs/dbraw/zinc/43/35/43/386433543.db2.gz VMCVLWFZNCLSNO-OUAUKWLOSA-N 0 3 220.316 1.642 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C ZINC000161176638 386602523 /nfs/dbraw/zinc/60/25/23/386602523.db2.gz LIQDDMOPYPRDTH-MXWKQRLJSA-N 0 3 242.363 1.291 20 70 BDIDHN CC[C@@H](NC(=O)[C@H](C)N)c1ccc(F)cc1F ZINC000161207706 386605447 /nfs/dbraw/zinc/60/54/47/386605447.db2.gz FWRSEFDNPCSJAO-WRWORJQWSA-N 0 3 242.269 1.879 20 70 BDIDHN CC(C)n1cc2cc(NC(=O)[C@@H](C)N)ccc2n1 ZINC000160068636 387041749 /nfs/dbraw/zinc/04/17/49/387041749.db2.gz KBZPSYZKGOUNRA-SECBINFHSA-N 0 3 246.314 1.903 20 70 BDIDHN CCOCCCN1C[C@@H](C)OC(C)(C)C1 ZINC000159667679 388025756 /nfs/dbraw/zinc/02/57/56/388025756.db2.gz XMUUVLUCOMVWCV-LLVKDONJSA-N 0 3 215.337 1.912 20 70 BDIDHN CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]2C1)N(C)C ZINC000159423180 388015085 /nfs/dbraw/zinc/01/50/85/388015085.db2.gz RTPRALFUPUKOOO-AVGNSLFASA-N 0 3 238.375 1.831 20 70 BDIDHN CC[C@@H](C)[C@H](N)C(=O)NCC1(C)CCC1 ZINC000160829925 388092242 /nfs/dbraw/zinc/09/22/42/388092242.db2.gz ZVXFGZZXKVOEGI-ZJUUUORDSA-N 0 3 212.337 1.666 20 70 BDIDHN CC[C@H](C)CN(C)C(=O)[C@H](N)CCSC ZINC000159550457 171270826 /nfs/dbraw/zinc/27/08/26/171270826.db2.gz OBNCABAEGNIUMF-VHSXEESVSA-N 0 3 232.393 1.571 20 70 BDIDHN C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccco1 ZINC000159639344 323041176 /nfs/dbraw/zinc/04/11/76/323041176.db2.gz MLGFXTHVNWRCEC-UWVGGRQHSA-N 0 3 222.288 1.365 20 70 BDIDHN CS[C@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000159719995 323044541 /nfs/dbraw/zinc/04/45/41/323044541.db2.gz OYKUUOKZUQOIAR-ZJUUUORDSA-N 0 3 245.392 1.131 20 70 BDIDHN C(CN1CCCSCC1)OC[C@@H]1CCCO1 ZINC000161481799 323076036 /nfs/dbraw/zinc/07/60/36/323076036.db2.gz JSWHHZIQUBPVKH-LBPRGKRZSA-N 0 3 245.388 1.621 20 70 BDIDHN C[C@@H](N[C@H]1CCCN(C)C1)c1cscn1 ZINC000161162303 538914450 /nfs/dbraw/zinc/91/44/50/538914450.db2.gz IXVQPHXMVBPYLN-ZJUUUORDSA-N 0 3 225.361 1.888 20 70 BDIDHN O=C1CCCN1CCN1CCCSCC1 ZINC000161479823 349454567 /nfs/dbraw/zinc/45/45/67/349454567.db2.gz KDPBVGFPRYRBNU-UHFFFAOYSA-N 0 3 228.361 1.048 20 70 BDIDHN CSCC[C@@H](N)C(=O)N1CCC2(CCC2)C1 ZINC000160627228 136222137 /nfs/dbraw/zinc/22/21/37/136222137.db2.gz HNBBYNZYZDBCJV-SNVBAGLBSA-N 0 3 242.388 1.469 20 70 BDIDHN CN(CCOCC1CC1)C[C@@H]1CCCO1 ZINC000160271788 398344013 /nfs/dbraw/zinc/34/40/13/398344013.db2.gz XTNGBZIMMFERGT-LBPRGKRZSA-N 0 3 213.321 1.524 20 70 BDIDHN CCOCCCN1CCOCC1(C)C ZINC000159521913 345439700 /nfs/dbraw/zinc/43/97/00/345439700.db2.gz QZWDUHVAXFQHSW-UHFFFAOYSA-N 0 3 201.310 1.524 20 70 BDIDHN CCS[C@@H]1CCCCN(C(=O)C(C)(C)N)C1 ZINC000159764275 345516503 /nfs/dbraw/zinc/51/65/03/345516503.db2.gz XRDUDBIADISFND-SNVBAGLBSA-N 0 3 244.404 1.858 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1C ZINC000159881847 345582295 /nfs/dbraw/zinc/58/22/95/345582295.db2.gz JZEDQGPXBHPLOZ-KBVBSXBZSA-N 0 3 218.300 1.383 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161018745 349362717 /nfs/dbraw/zinc/36/27/17/349362717.db2.gz LUAMPLPTCPHPQA-MHYGZLNHSA-N 0 3 240.253 1.284 20 70 BDIDHN CCN(C)CCNC(=O)[C@H](C)c1ccsc1 ZINC000160150153 353314822 /nfs/dbraw/zinc/31/48/22/353314822.db2.gz MENIMOAAOODTEU-SNVBAGLBSA-N 0 3 240.372 1.920 20 70 BDIDHN CCc1ncc(CNC2(CO)CC2)s1 ZINC000159653520 361275977 /nfs/dbraw/zinc/27/59/77/361275977.db2.gz VMRCGGYJKALIGQ-UHFFFAOYSA-N 0 3 212.318 1.320 20 70 BDIDHN CN(CC1CC1)C(=O)[C@@]1(C)CCCCN1 ZINC000159572052 361257127 /nfs/dbraw/zinc/25/71/27/361257127.db2.gz BJUGDBZSHKNGAD-GFCCVEGCSA-N 0 3 210.321 1.387 20 70 BDIDHN C[C@H](NCCO)c1ccc(N2CCCC2=O)cc1 ZINC000159712715 384351135 /nfs/dbraw/zinc/35/11/35/384351135.db2.gz WXDMRZQDYRWEJE-NSHDSACASA-N 0 3 248.326 1.456 20 70 BDIDHN C[C@@H](CN[C@@H](C)c1cscn1)N(C)C ZINC000161188201 384472373 /nfs/dbraw/zinc/47/23/73/384472373.db2.gz NVRIQBDPOADROI-IUCAKERBSA-N 0 3 213.350 1.744 20 70 BDIDHN CC[C@H]1COCCN1C[C@@H](O)C(C)(C)C ZINC000216935813 384678560 /nfs/dbraw/zinc/67/85/60/384678560.db2.gz YUPKTBILHSPIRA-WDEREUQCSA-N 0 3 215.337 1.504 20 70 BDIDHN CC[C@H](O)CCN[C@H](C)c1ccncc1 ZINC000161238024 384945108 /nfs/dbraw/zinc/94/51/08/384945108.db2.gz DQKKQPUPJDLETI-PWSUYJOCSA-N 0 3 208.305 1.893 20 70 BDIDHN C[C@H](NC[C@@H]1CCOC1)c1cscn1 ZINC000161166406 385940403 /nfs/dbraw/zinc/94/04/03/385940403.db2.gz UJQDFMDQXNGWNS-IUCAKERBSA-N 0 3 212.318 1.830 20 70 BDIDHN C[C@@H](N)C(=O)NCc1ccccc1OC1CCC1 ZINC000161199128 386605848 /nfs/dbraw/zinc/60/58/48/386605848.db2.gz VJAZMWOVWNNMKV-SNVBAGLBSA-N 0 3 248.326 1.581 20 70 BDIDHN CCCCN(C)CCNC(=O)NC1(C)CCC1 ZINC000161201832 387149208 /nfs/dbraw/zinc/14/92/08/387149208.db2.gz DYZMCXXVNVZIBO-UHFFFAOYSA-N 0 3 241.379 1.960 20 70 BDIDHN c1cnn([C@@H]2CCCN(CCOCC3CC3)C2)c1 ZINC000160250454 388055056 /nfs/dbraw/zinc/05/50/56/388055056.db2.gz FMJROTMMODNWBG-CQSZACIVSA-N 0 3 249.358 1.947 20 70 BDIDHN CC[C@@H](C)[C@@H](N)C(=O)Nc1nnc(C)s1 ZINC000160914801 388101683 /nfs/dbraw/zinc/10/16/83/388101683.db2.gz FPZHJGAETFEPNN-IYSWYEEDSA-N 0 3 228.321 1.158 20 70 BDIDHN C[C@H]1CCN(C(=O)[C@]2(C)CCCCN2)C1 ZINC000159574607 411306701 /nfs/dbraw/zinc/30/67/01/411306701.db2.gz MKNRXMQKQRSVJC-JQWIXIFHSA-N 0 3 210.321 1.387 20 70 BDIDHN CCc1ncc(CNC(C)(C)[C@H](C)O)s1 ZINC000160621586 172017022 /nfs/dbraw/zinc/01/70/22/172017022.db2.gz SUVDIPYWGROQIO-QMMMGPOBSA-N 0 3 228.361 1.955 20 70 BDIDHN CNCC(=O)NC[C@H](C)Cc1cccs1 ZINC000161092809 173329736 /nfs/dbraw/zinc/32/97/36/173329736.db2.gz PRYKPRGBINGORK-SECBINFHSA-N 0 3 226.345 1.262 20 70 BDIDHN CS[C@@H](C)CNC(=O)NC1CCN(C)CC1 ZINC000159571535 323037616 /nfs/dbraw/zinc/03/76/16/323037616.db2.gz RQLYZJPIFIKXFW-VIFPVBQESA-N 0 3 245.392 1.131 20 70 BDIDHN CC[C@H](N)C(=O)NCCOC1CCCCCC1 ZINC000160088443 323060614 /nfs/dbraw/zinc/06/06/14/323060614.db2.gz ZMPZMNHWHYRPRJ-LBPRGKRZSA-N 0 3 242.363 1.579 20 70 BDIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccco1 ZINC000159639625 323075212 /nfs/dbraw/zinc/07/52/12/323075212.db2.gz MLGFXTHVNWRCEC-VHSXEESVSA-N 0 3 222.288 1.365 20 70 BDIDHN CC[C@H](CCO)NCc1ccncc1Cl ZINC000217840983 324055382 /nfs/dbraw/zinc/05/53/82/324055382.db2.gz VSXUPYXGSUZYIB-SNVBAGLBSA-N 0 3 228.723 1.986 20 70 BDIDHN c1ncc(-c2nc3c(s2)CNCC3)cn1 ZINC000218744016 487546390 /nfs/dbraw/zinc/54/63/90/487546390.db2.gz PNZVJYZJICQRMY-UHFFFAOYSA-N 0 3 218.285 1.246 20 70 BDIDHN CCS[C@H]1CCCCN(C(=O)C(C)(C)N)C1 ZINC000159764407 490565163 /nfs/dbraw/zinc/56/51/63/490565163.db2.gz XRDUDBIADISFND-JTQLQIEISA-N 0 3 244.404 1.858 20 70 BDIDHN CCCCCC[C@H](O)CN(C)CCO ZINC000217365679 592106783 /nfs/dbraw/zinc/10/67/83/592106783.db2.gz DRBUCBQXNGIIKB-NSHDSACASA-N 0 3 203.326 1.242 20 70 BDIDHN c1c[nH]c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1 ZINC000159527195 345441471 /nfs/dbraw/zinc/44/14/71/345441471.db2.gz MSPPXWCGASHPEN-JLLWLGSASA-N 0 3 233.315 1.457 20 70 BDIDHN CCSCC[C@@H](C)NC(=O)CNC1CC1 ZINC000159622221 345449383 /nfs/dbraw/zinc/44/93/83/345449383.db2.gz NGRIFERUAXZETG-SECBINFHSA-N 0 3 230.377 1.386 20 70 BDIDHN Cc1cccc([C@@H]2CCCN2CCCO)n1 ZINC000159781255 345529900 /nfs/dbraw/zinc/52/99/00/345529900.db2.gz FJGYYPLEVMXUBK-ZDUSSCGKSA-N 0 3 220.316 1.909 20 70 BDIDHN CC(C)C1CCN(C(=O)[C@]2(F)CCNC2)CC1 ZINC000161271600 349413568 /nfs/dbraw/zinc/41/35/68/349413568.db2.gz HMKRLUIAZNGTJR-ZDUSSCGKSA-N 0 3 242.338 1.583 20 70 BDIDHN Cc1ncc(CNC(C)(C)[C@@H](C)O)s1 ZINC000160614346 180150560 /nfs/dbraw/zinc/15/05/60/180150560.db2.gz RSHIMNLEIJBBLB-SSDOTTSWSA-N 0 3 214.334 1.701 20 70 BDIDHN Cc1n[nH]cc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159568867 351674906 /nfs/dbraw/zinc/67/49/06/351674906.db2.gz BEWCGMKGGCIJEE-AVGNSLFASA-N 0 3 247.342 1.765 20 70 BDIDHN C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCO ZINC000159725072 324138158 /nfs/dbraw/zinc/13/81/58/324138158.db2.gz LEKXNXLUIRXSOG-PRHODGIISA-N 0 3 209.264 1.641 20 70 BDIDHN CCN(C)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160712930 357287750 /nfs/dbraw/zinc/28/77/50/357287750.db2.gz WVSBNCHDPLDCDQ-LLVKDONJSA-N 0 3 225.336 1.132 20 70 BDIDHN CN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1 ZINC000160730054 357637197 /nfs/dbraw/zinc/63/71/97/357637197.db2.gz UQPBUXGDSKBESK-LLVKDONJSA-N 0 3 237.347 1.275 20 70 BDIDHN [NH3+][C@@H]1CCN(Cc2cc([O-])cc(F)c2)C1 ZINC000159743177 361286294 /nfs/dbraw/zinc/28/62/94/361286294.db2.gz ZSQOKZJVGJGNEE-SNVBAGLBSA-N 0 3 210.252 1.064 20 70 BDIDHN C[C@H](N)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000159876928 361292253 /nfs/dbraw/zinc/29/22/53/361292253.db2.gz XPAVXCNADTUMIC-RCWTZXSCSA-N 0 3 210.321 1.513 20 70 BDIDHN C[C@@H](CN(C)C)NCc1cncc(F)c1 ZINC000160129418 361300375 /nfs/dbraw/zinc/30/03/75/361300375.db2.gz AKDGXHNWSBTRLZ-VIFPVBQESA-N 0 3 211.284 1.260 20 70 BDIDHN C[C@@H](N)C(=O)NCc1ccccc1OCC1CC1 ZINC000160099718 384384876 /nfs/dbraw/zinc/38/48/76/384384876.db2.gz AMDNACHOVPOHAH-SNVBAGLBSA-N 0 3 248.326 1.439 20 70 BDIDHN C[C@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1 ZINC000160102155 384385740 /nfs/dbraw/zinc/38/57/40/384385740.db2.gz KLLPNBUAOVEAMU-WFASDCNBSA-N 0 3 246.354 1.914 20 70 BDIDHN Cc1ccc(C[C@H](C)N(C)C(=O)[C@H](C)N)cc1 ZINC000161156223 386599629 /nfs/dbraw/zinc/59/96/29/386599629.db2.gz ZWJWHVWYNIBUPQ-RYUDHWBXSA-N 0 3 234.343 1.732 20 70 BDIDHN CCCN(CCO)Cc1cccc(OCC)n1 ZINC000161215261 387147646 /nfs/dbraw/zinc/14/76/46/387147646.db2.gz BJTBGKQLNPSZNG-UHFFFAOYSA-N 0 3 238.331 1.685 20 70 BDIDHN CCC1(CNC(=O)[C@@H](N)CCSC)CC1 ZINC000159632371 388025060 /nfs/dbraw/zinc/02/50/60/388025060.db2.gz WFIJWAJEXSVWTG-VIFPVBQESA-N 0 3 230.377 1.373 20 70 BDIDHN C[C@@H](CO)C[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159605180 388023452 /nfs/dbraw/zinc/02/34/52/388023452.db2.gz CDEFVGFOUDJMNN-MRVPVSSYSA-N 0 3 213.252 1.249 20 70 BDIDHN CC[C@@H](NCCO)c1c(C)nn(C)c1C ZINC000159723667 388028102 /nfs/dbraw/zinc/02/81/02/388028102.db2.gz HLHQQEWNBUONBT-SNVBAGLBSA-N 0 3 211.309 1.070 20 70 BDIDHN COCC(C)(C)NCc1cn(C)nc1C ZINC000160143250 388048181 /nfs/dbraw/zinc/04/81/81/388048181.db2.gz SNWLHNXJUQGFDS-UHFFFAOYSA-N 0 3 211.309 1.243 20 70 BDIDHN CC(C)[C@@H](O)CN[C@@H](C)c1ccncc1 ZINC000161234614 167455941 /nfs/dbraw/zinc/45/59/41/167455941.db2.gz DOSRMNSFKWEAIU-JQWIXIFHSA-N 0 3 208.305 1.749 20 70 BDIDHN CC1(NCc2cc(C(N)=O)cs2)CCC1 ZINC000159993977 168062699 /nfs/dbraw/zinc/06/26/99/168062699.db2.gz MOHIYUXTYSTDJU-UHFFFAOYSA-N 0 3 224.329 1.879 20 70 BDIDHN CC[C@@H]1COCCN1C[C@@H](O)C(C)(C)C ZINC000216935795 171106285 /nfs/dbraw/zinc/10/62/85/171106285.db2.gz YUPKTBILHSPIRA-GHMZBOCLSA-N 0 3 215.337 1.504 20 70 BDIDHN COc1ccc(NC(=O)CNCC2CC2)cc1N ZINC000161225371 175142472 /nfs/dbraw/zinc/14/24/72/175142472.db2.gz DUIIKBPXJLGUOV-UHFFFAOYSA-N 0 3 249.314 1.216 20 70 BDIDHN COc1cccnc1NC1CCN(C)CC1 ZINC000159471204 322969799 /nfs/dbraw/zinc/96/97/99/322969799.db2.gz YTNFWDKRBLENIR-UHFFFAOYSA-N 0 3 221.304 1.596 20 70 BDIDHN C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccsc1 ZINC000159684806 323043877 /nfs/dbraw/zinc/04/38/77/323043877.db2.gz BMSQTWWPSPBULW-GXSJLCMTSA-N 0 3 238.356 1.834 20 70 BDIDHN CC(C)[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159733555 323045761 /nfs/dbraw/zinc/04/57/61/323045761.db2.gz BQGGZGASEQCEFU-TZMCWYRMSA-N 0 3 246.354 1.816 20 70 BDIDHN CNC(=O)CCN1CCC[C@@H]1c1cccc(C)n1 ZINC000159870694 323051043 /nfs/dbraw/zinc/05/10/43/323051043.db2.gz PMIPZCOZQNSCGN-CYBMUJFWSA-N 0 3 247.342 1.663 20 70 BDIDHN C[C@@H]1C[C@@H](C)CN(CCCCS(C)(=O)=O)C1 ZINC000161085636 538914088 /nfs/dbraw/zinc/91/40/88/538914088.db2.gz YOQDXYIQMNCWGT-VXGBXAGGSA-N 0 3 247.404 1.789 20 70 BDIDHN CCCO[C@H]1CCCN(C(=O)[C@H](C)N)CC1 ZINC000159469789 345436775 /nfs/dbraw/zinc/43/67/75/345436775.db2.gz FJMLXALQXVTTIX-QWRGUYRKSA-N 0 3 228.336 1.141 20 70 BDIDHN C[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21 ZINC000159728782 345502736 /nfs/dbraw/zinc/50/27/36/345502736.db2.gz YVZHUXYMUXXLFU-KOLCDFICSA-N 0 3 218.300 1.180 20 70 BDIDHN CCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159732348 345505070 /nfs/dbraw/zinc/50/50/70/345505070.db2.gz OHTASXJYVDQDRZ-OCCSQVGLSA-N 0 3 246.354 1.960 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F ZINC000161019124 349362580 /nfs/dbraw/zinc/36/25/80/349362580.db2.gz LUAMPLPTCPHPQA-PJKMHFRUSA-N 0 3 240.253 1.284 20 70 BDIDHN CN1CCC[C@@H]1CNCc1nccs1 ZINC000218140277 351036126 /nfs/dbraw/zinc/03/61/26/351036126.db2.gz QYRQBODPMZTHFE-SECBINFHSA-N 0 3 211.334 1.327 20 70 BDIDHN CCC[C@H](N)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000217826268 134250431 /nfs/dbraw/zinc/25/04/31/134250431.db2.gz GHBDDKJIUFNLDB-MXWKQRLJSA-N 0 3 212.337 1.618 20 70 BDIDHN OCCNCc1cc(Cl)cc2c1OCC2 ZINC000159742581 361285850 /nfs/dbraw/zinc/28/58/50/361285850.db2.gz AQQPNDWGBUDSTA-UHFFFAOYSA-N 0 3 227.691 1.357 20 70 BDIDHN CCC[C@@H](O)CNCc1ccncc1Cl ZINC000217902813 372026407 /nfs/dbraw/zinc/02/64/07/372026407.db2.gz DDUURALHEATISC-SNVBAGLBSA-N 0 3 228.723 1.986 20 70 BDIDHN CC(=O)c1cnc(NC(=O)[C@@H](N)C(C)C)s1 ZINC000161087447 384646547 /nfs/dbraw/zinc/64/65/47/384646547.db2.gz LQLXETMCNXSVPI-QMMMGPOBSA-N 0 3 241.316 1.268 20 70 BDIDHN CC[C@H](N)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000160935647 384861339 /nfs/dbraw/zinc/86/13/39/384861339.db2.gz JSOXWCBVRLNUJI-VWYCJHECSA-N 0 3 212.337 1.761 20 70 BDIDHN CCN(CCCO)Cc1cnn(CC)c1 ZINC000161299405 384963298 /nfs/dbraw/zinc/96/32/98/384963298.db2.gz MTRAAYZVKFLQKN-UHFFFAOYSA-N 0 3 211.309 1.107 20 70 BDIDHN CC[C@@H](CCO)NCc1ccnn1CC ZINC000160641547 388081109 /nfs/dbraw/zinc/08/11/09/388081109.db2.gz BPKHBCMNHVXKRP-JTQLQIEISA-N 0 3 211.309 1.154 20 70 BDIDHN C[C@@H](CO)[C@@H](C)N[C@@H](C)c1ccccn1 ZINC000160893186 388099096 /nfs/dbraw/zinc/09/90/96/388099096.db2.gz GKFLOUWVMWIQIL-AXFHLTTASA-N 0 3 208.305 1.749 20 70 BDIDHN CC[C@@H]1c2ccccc2CCN1C(=O)[C@H](C)N ZINC000160132129 487594433 /nfs/dbraw/zinc/59/44/33/487594433.db2.gz YTSUWCIYLRYYMT-GXFFZTMASA-N 0 3 232.327 1.870 20 70 BDIDHN CC1CCC(CN2CCC[C@@H]2C(N)=O)CC1 ZINC000160374897 168153190 /nfs/dbraw/zinc/15/31/90/168153190.db2.gz MFBOJFSUGDXNPC-HTAVTVPLSA-N 0 3 224.348 1.762 20 70 BDIDHN COCCC[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159587328 174247535 /nfs/dbraw/zinc/24/75/35/174247535.db2.gz QLZWKHBVDXGXGG-UHFFFAOYSA-N 0 3 213.252 1.657 20 70 BDIDHN COCCNCCNCc1sccc1Cl ZINC000161499406 174333051 /nfs/dbraw/zinc/33/30/51/174333051.db2.gz WQQVPQWUDFHWEQ-UHFFFAOYSA-N 0 3 248.779 1.727 20 70 BDIDHN NCC(=O)NCCCCCOC1CCCCC1 ZINC000159533651 323035894 /nfs/dbraw/zinc/03/58/94/323035894.db2.gz RRBRCVIMUAYOPP-UHFFFAOYSA-N 0 3 242.363 1.581 20 70 BDIDHN C[C@H]1SCCN(C(=O)CNC2CC2)[C@@H]1C ZINC000159623073 323040643 /nfs/dbraw/zinc/04/06/43/323040643.db2.gz CZLBZAAEPVJGNL-RKDXNWHRSA-N 0 3 228.361 1.091 20 70 BDIDHN C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccsc1 ZINC000159684340 323043706 /nfs/dbraw/zinc/04/37/06/323043706.db2.gz BMSQTWWPSPBULW-KOLCDFICSA-N 0 3 238.356 1.834 20 70 BDIDHN CC[C@@H](C(=O)N[C@H](C)C1CCOCC1)N(C)C ZINC000160760407 323106174 /nfs/dbraw/zinc/10/61/74/323106174.db2.gz LGBLAUMPKCURMP-PWSUYJOCSA-N 0 3 242.363 1.258 20 70 BDIDHN C[C@@H](CNC(=O)NC1(C)CCC1)N(C)C1CC1 ZINC000160812912 323136368 /nfs/dbraw/zinc/13/63/68/323136368.db2.gz AYVXLFVIAXKXOJ-JTQLQIEISA-N 0 3 239.363 1.711 20 70 BDIDHN CC(C)S(=O)(=O)CCCN(C)[C@@H](C)C1CC1 ZINC000161012179 323143192 /nfs/dbraw/zinc/14/31/92/323143192.db2.gz QMUYXGTVMJRMFO-NSHDSACASA-N 0 3 247.404 1.930 20 70 BDIDHN CC(C)S(=O)(=O)CCCN(C)[C@H](C)C1CC1 ZINC000161012312 323143211 /nfs/dbraw/zinc/14/32/11/323143211.db2.gz QMUYXGTVMJRMFO-LLVKDONJSA-N 0 3 247.404 1.930 20 70 BDIDHN C[C@H](N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000159788323 488087265 /nfs/dbraw/zinc/08/72/65/488087265.db2.gz CNMGKDTZBNTQOM-DLOVCJGASA-N 0 3 218.300 1.254 20 70 BDIDHN CCCCCCN(CCC)CC(N)=O ZINC000218722823 582724723 /nfs/dbraw/zinc/72/47/23/582724723.db2.gz ZFDHFIPRRYERPS-UHFFFAOYSA-N 0 3 200.326 1.764 20 70 BDIDHN C[C@@H](CNC(=O)[C@H](C)N)c1ccc(F)cc1F ZINC000159492287 345438424 /nfs/dbraw/zinc/43/84/24/345438424.db2.gz KUZMSDKZPDNUCJ-YUMQZZPRSA-N 0 3 242.269 1.532 20 70 BDIDHN CCC(CC)NC(=O)N1CCCN(CC)CC1 ZINC000159511645 345438997 /nfs/dbraw/zinc/43/89/97/345438997.db2.gz WNXSFIGQIMPWLH-UHFFFAOYSA-N 0 3 241.379 1.912 20 70 BDIDHN CNCC(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000159636877 345447739 /nfs/dbraw/zinc/44/77/39/345447739.db2.gz QZAMISMCWLXKDB-GFCCVEGCSA-N 0 3 234.343 1.604 20 70 BDIDHN CCC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159732466 345505163 /nfs/dbraw/zinc/50/51/63/345505163.db2.gz OHTASXJYVDQDRZ-TZMCWYRMSA-N 0 3 246.354 1.960 20 70 BDIDHN Cn1cncc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159673575 345464514 /nfs/dbraw/zinc/46/45/14/345464514.db2.gz UQLCEYRQKBGZJR-UPJWGTAASA-N 0 3 247.342 1.467 20 70 BDIDHN CCCN1CCCN(C(=O)C2CCC2)CC1 ZINC000160383421 347872147 /nfs/dbraw/zinc/87/21/47/347872147.db2.gz FKYZBYIQFGLWKS-UHFFFAOYSA-N 0 3 224.348 1.731 20 70 BDIDHN CCCN1CCCN(C(=O)[C@@H](C)SC)CC1 ZINC000160394867 169193235 /nfs/dbraw/zinc/19/32/35/169193235.db2.gz ZQEUYYGICKRNGI-LLVKDONJSA-N 0 3 244.404 1.682 20 70 BDIDHN CO[C@H]1CCCN(CCOCC2CC2)C1 ZINC000160439457 383847954 /nfs/dbraw/zinc/84/79/54/383847954.db2.gz VXZZOYSNMHUAIY-LBPRGKRZSA-N 0 3 213.321 1.524 20 70 BDIDHN CSCC[C@H](C)N(C)C(=O)[C@]1(F)CCNC1 ZINC000159723078 384351603 /nfs/dbraw/zinc/35/16/03/384351603.db2.gz XJKZXFCOSSVOED-ONGXEEELSA-N 0 3 248.367 1.288 20 70 BDIDHN CCSCCN(CC)Cc1cnn(C)c1 ZINC000160096294 384385148 /nfs/dbraw/zinc/38/51/48/384385148.db2.gz JOAVAAJQGFRHKP-UHFFFAOYSA-N 0 3 227.377 1.995 20 70 BDIDHN CCN(CCCO)Cc1cccc(O)c1 ZINC000161300688 384961700 /nfs/dbraw/zinc/96/17/00/384961700.db2.gz PUDYUMVIHJZCFG-UHFFFAOYSA-N 0 3 209.289 1.597 20 70 BDIDHN C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1 ZINC000161258808 385606834 /nfs/dbraw/zinc/60/68/34/385606834.db2.gz SVSDLVCHUIZPMZ-ZWNOBZJWSA-N 0 3 232.327 1.471 20 70 BDIDHN CCSCCN1CCC(NC(C)=O)CC1 ZINC000159869648 385742342 /nfs/dbraw/zinc/74/23/42/385742342.db2.gz WAPSBEUIXYEERN-UHFFFAOYSA-N 0 3 230.377 1.340 20 70 BDIDHN C[C@H](N)C(=O)NCCOC1CCCCCC1 ZINC000160087037 387040728 /nfs/dbraw/zinc/04/07/28/387040728.db2.gz PEEHOZXCHWLKJJ-JTQLQIEISA-N 0 3 228.336 1.189 20 70 BDIDHN CC(C)[C@@H](N)C(=O)N(C)CCC1CCOCC1 ZINC000161404962 387210486 /nfs/dbraw/zinc/21/04/86/387210486.db2.gz BQPOQUGZGWCXGT-GFCCVEGCSA-N 0 3 242.363 1.245 20 70 BDIDHN CSCC[C@@H](N)C(=O)N1CCC(C)(C)C1 ZINC000159623970 388024253 /nfs/dbraw/zinc/02/42/53/388024253.db2.gz LYPIPIQAXQVEGR-SECBINFHSA-N 0 3 230.377 1.325 20 70 BDIDHN CN(CCOCC1CC1)C[C@H]1CCCCO1 ZINC000159536348 388020695 /nfs/dbraw/zinc/02/06/95/388020695.db2.gz KGZRTNXWFBPGPZ-CYBMUJFWSA-N 0 3 227.348 1.914 20 70 BDIDHN C[C@@H](CCO)[NH2+]Cc1cc([O-])cc(F)c1 ZINC000159612695 388023278 /nfs/dbraw/zinc/02/32/78/388023278.db2.gz DBQMOACHJBNBBO-QMMMGPOBSA-N 0 3 213.252 1.392 20 70 BDIDHN CCSCCN1CCN(C2CC2)CC1 ZINC000159717235 388027985 /nfs/dbraw/zinc/02/79/85/388027985.db2.gz MHJKBDJVXSUFSP-UHFFFAOYSA-N 0 3 214.378 1.520 20 70 BDIDHN CCc1nnc(C[NH2+][C@@H](C)[C@@H](C)CC)[n-]1 ZINC000160453973 388067472 /nfs/dbraw/zinc/06/74/72/388067472.db2.gz YCRUXUQLWCNSHX-IUCAKERBSA-N 0 3 210.325 1.891 20 70 BDIDHN CCc1nnc(CN[C@@H](C)[C@@H](C)CC)[nH]1 ZINC000160453973 388067477 /nfs/dbraw/zinc/06/74/77/388067477.db2.gz YCRUXUQLWCNSHX-IUCAKERBSA-N 0 3 210.325 1.891 20 70 BDIDHN CC[C@H](O)CCNCc1ccnn1CC ZINC000160642002 388080715 /nfs/dbraw/zinc/08/07/15/388080715.db2.gz LWRHTKCPUHFVQG-NSHDSACASA-N 0 3 211.309 1.154 20 70 BDIDHN C[C@@H]1CCCN1C(=O)[C@@]1(C)CCCCN1 ZINC000159578412 411306691 /nfs/dbraw/zinc/30/66/91/411306691.db2.gz AOUPGGFZFMZULA-ZYHUDNBSSA-N 0 3 210.321 1.530 20 70 BDIDHN CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C12CCCC2 ZINC000161111774 170490567 /nfs/dbraw/zinc/49/05/67/170490567.db2.gz KJLQENRHMSEIHQ-OUAUKWLOSA-N 0 3 240.347 1.188 20 70 BDIDHN CC[C@@](C)(O)CNCc1ccncc1C ZINC000160611058 171184551 /nfs/dbraw/zinc/18/45/51/171184551.db2.gz ADCWPDJLGLGUNF-GFCCVEGCSA-N 0 3 208.305 1.641 20 70 BDIDHN CC[C@H](C)[C@@H](N)C(=O)Nc1ccccn1 ZINC000160792270 171372224 /nfs/dbraw/zinc/37/22/24/171372224.db2.gz HNXZFWRQOSNHPI-WCBMZHEXSA-N 0 3 207.277 1.394 20 70 BDIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1cncs1 ZINC000159538760 323035948 /nfs/dbraw/zinc/03/59/48/323035948.db2.gz NVVAXINXUMBKQP-RKDXNWHRSA-N 0 3 239.344 1.229 20 70 BDIDHN CCN1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C ZINC000159575728 323038364 /nfs/dbraw/zinc/03/83/64/323038364.db2.gz WZNDIWYZIZSWDC-LBPRGKRZSA-N 0 3 249.358 1.846 20 70 BDIDHN CCN1CCC(NC(=O)C2(C)CC2)CC1 ZINC000159586005 323039212 /nfs/dbraw/zinc/03/92/12/323039212.db2.gz FPHOOPULTRNUSU-UHFFFAOYSA-N 0 3 210.321 1.387 20 70 BDIDHN C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccco1 ZINC000159639465 323041158 /nfs/dbraw/zinc/04/11/58/323041158.db2.gz MLGFXTHVNWRCEC-NXEZZACHSA-N 0 3 222.288 1.365 20 70 BDIDHN CS[C@@H](C)CNC(=O)NC[C@@H]1CCCN1C ZINC000159719902 323044584 /nfs/dbraw/zinc/04/45/84/323044584.db2.gz OYKUUOKZUQOIAR-UWVGGRQHSA-N 0 3 245.392 1.131 20 70 BDIDHN C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCO ZINC000159725202 323045169 /nfs/dbraw/zinc/04/51/69/323045169.db2.gz LEKXNXLUIRXSOG-QPUJVOFHSA-N 0 3 209.264 1.641 20 70 BDIDHN CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(C)C ZINC000160521357 323069845 /nfs/dbraw/zinc/06/98/45/323069845.db2.gz NUTZWGQDVQRAAH-QWRGUYRKSA-N 0 3 214.353 1.831 20 70 BDIDHN CC[C@@H](C(=O)N[C@@H](C)CC(C)(C)OC)N(C)C ZINC000160893763 323138057 /nfs/dbraw/zinc/13/80/57/323138057.db2.gz QMDRCNKDOAJJAZ-QWRGUYRKSA-N 0 3 244.379 1.646 20 70 BDIDHN C[C@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F ZINC000159492145 345437970 /nfs/dbraw/zinc/43/79/70/345437970.db2.gz KUZMSDKZPDNUCJ-SFYZADRCSA-N 0 3 242.269 1.532 20 70 BDIDHN CCOCCCN1CCC(N(C)C(C)=O)CC1 ZINC000159663609 345458978 /nfs/dbraw/zinc/45/89/78/345458978.db2.gz SWHLKLHUHLTOMV-UHFFFAOYSA-N 0 3 242.363 1.356 20 70 BDIDHN CCN(CCOCC1CC1)CCC(=O)OC ZINC000159850739 345568751 /nfs/dbraw/zinc/56/87/51/345568751.db2.gz ZJIUYFICCARPGV-UHFFFAOYSA-N 0 3 229.320 1.298 20 70 BDIDHN CCO[C@H]1CCCN(CCn2ccnc2)C1 ZINC000159841335 538879604 /nfs/dbraw/zinc/87/96/04/538879604.db2.gz VOZCRQISVAZMCB-LBPRGKRZSA-N 0 3 223.320 1.384 20 70 BDIDHN CC[C@H](CSC)NC[C@@H](O)C(F)(F)F ZINC000217330416 357841150 /nfs/dbraw/zinc/84/11/50/357841150.db2.gz GYGBUBZKWJEHGY-RNFRBKRXSA-N 0 3 231.283 1.641 20 70 BDIDHN CS[C@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1 ZINC000159569799 361256944 /nfs/dbraw/zinc/25/69/44/361256944.db2.gz YBAZGGVUZNOGCJ-BDAKNGLRSA-N 0 3 228.361 1.268 20 70 BDIDHN CCCN1CCCN(C(=O)c2ccc[nH]2)CC1 ZINC000160388523 169193813 /nfs/dbraw/zinc/19/38/13/169193813.db2.gz ZFGLGLOPNCKCRR-UHFFFAOYSA-N 0 3 235.331 1.573 20 70 BDIDHN CCCOCC(=O)N1CCCN(CCC)CC1 ZINC000160366052 169303094 /nfs/dbraw/zinc/30/30/94/169303094.db2.gz UPJBIUDFFIBOIR-UHFFFAOYSA-N 0 3 242.363 1.357 20 70 BDIDHN CN(CCn1ccnc1)C[C@H]1CCCCO1 ZINC000161448803 384489619 /nfs/dbraw/zinc/48/96/19/384489619.db2.gz NRMXFTCAIJVBMD-GFCCVEGCSA-N 0 3 223.320 1.384 20 70 BDIDHN C[C@@H](NC[C@@H]1CCOC1)c1cscn1 ZINC000161166512 384865519 /nfs/dbraw/zinc/86/55/19/384865519.db2.gz UJQDFMDQXNGWNS-BDAKNGLRSA-N 0 3 212.318 1.830 20 70 BDIDHN C[C@@H](N)C(=O)NCCOC1CCCCCC1 ZINC000160087436 387040134 /nfs/dbraw/zinc/04/01/34/387040134.db2.gz PEEHOZXCHWLKJJ-SNVBAGLBSA-N 0 3 228.336 1.189 20 70 BDIDHN CC[C@H](O)CCN[C@H](C)c1ccccn1 ZINC000159388998 388012026 /nfs/dbraw/zinc/01/20/26/388012026.db2.gz FGLIZKXGEUMIHA-MNOVXSKESA-N 0 3 208.305 1.893 20 70 BDIDHN C[C@]1(C(=O)NC2CCCC2)CCCCN1 ZINC000159552990 388021434 /nfs/dbraw/zinc/02/14/34/388021434.db2.gz HARPMWJYPSEYGX-GFCCVEGCSA-N 0 3 210.321 1.577 20 70 BDIDHN CCC[C@H](O)CNCc1ccnn1CC ZINC000160641253 388079891 /nfs/dbraw/zinc/07/98/91/388079891.db2.gz JGJJPHOQSLUXLX-NSHDSACASA-N 0 3 211.309 1.154 20 70 BDIDHN CCOCCCN(CC)Cc1cnn(C)c1 ZINC000160097856 397949837 /nfs/dbraw/zinc/94/98/37/397949837.db2.gz BRLDTZMVCBYEPO-UHFFFAOYSA-N 0 3 225.336 1.669 20 70 BDIDHN CC[C@H](C)[C@H](N)C(=O)NCC1(C)CCC1 ZINC000160830036 171394018 /nfs/dbraw/zinc/39/40/18/171394018.db2.gz ZVXFGZZXKVOEGI-UWVGGRQHSA-N 0 3 212.337 1.666 20 70 BDIDHN CCc1ncnc(NC[C@@H](C)N(C)C)c1F ZINC000217967966 172032442 /nfs/dbraw/zinc/03/24/42/172032442.db2.gz WTNHHVGFEKOUFV-MRVPVSSYSA-N 0 3 226.299 1.540 20 70 BDIDHN CCc1ncnc(NC[C@H](C)N(C)C)c1F ZINC000217968057 172032475 /nfs/dbraw/zinc/03/24/75/172032475.db2.gz WTNHHVGFEKOUFV-QMMMGPOBSA-N 0 3 226.299 1.540 20 70 BDIDHN CCn1cc(CNC(C)(C)[C@H](C)O)cn1 ZINC000160599908 172170016 /nfs/dbraw/zinc/17/00/16/172170016.db2.gz IUWAUTRWKZQSED-VIFPVBQESA-N 0 3 211.309 1.152 20 70 BDIDHN C[C@@H](NCCO)c1cnn(Cc2ccccc2)c1 ZINC000159709334 175880901 /nfs/dbraw/zinc/88/09/01/175880901.db2.gz QZFYXUVGBWCEMC-GFCCVEGCSA-N 0 3 245.326 1.574 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000161053765 176752668 /nfs/dbraw/zinc/75/26/68/176752668.db2.gz AEPNQQKKXHBOIZ-UBHSHLNASA-N 0 3 246.354 1.861 20 70 BDIDHN CSCC[C@@H](C)N(C)C(=O)CNC1CC1 ZINC000159624434 323040598 /nfs/dbraw/zinc/04/05/98/323040598.db2.gz ODFWHQOCXOCJJH-SECBINFHSA-N 0 3 230.377 1.338 20 70 BDIDHN Cc1ccoc1CN1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159648257 323041980 /nfs/dbraw/zinc/04/19/80/323041980.db2.gz SKQIMPOUZCYKRU-QWRGUYRKSA-N 0 3 236.315 1.674 20 70 BDIDHN CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000159710608 323044260 /nfs/dbraw/zinc/04/42/60/323044260.db2.gz BXCQTDOJEFVKII-VXGBXAGGSA-N 0 3 241.379 1.814 20 70 BDIDHN CSCC[C@@H](N)C(=O)NCCCC1CC1 ZINC000161228159 323469740 /nfs/dbraw/zinc/46/97/40/323469740.db2.gz YJPDWJVWGKQOBT-SNVBAGLBSA-N 0 3 230.377 1.373 20 70 BDIDHN C[C@@H](N)C(=O)N1CCc2cc(F)ccc2[C@H]1C ZINC000161425846 487494611 /nfs/dbraw/zinc/49/46/11/487494611.db2.gz WCGFVPCEXMXMIS-RKDXNWHRSA-N 0 3 236.290 1.619 20 70 BDIDHN CC(C)C[C@H](C)NC(=O)NC[C@H]1CCCN1C ZINC000159710718 323044268 /nfs/dbraw/zinc/04/42/68/323044268.db2.gz BXCQTDOJEFVKII-NWDGAFQWSA-N 0 3 241.379 1.814 20 70 BDIDHN C[C@@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1 ZINC000159645720 345452499 /nfs/dbraw/zinc/45/24/99/345452499.db2.gz QXPJIXXKEQZAQL-BXUZGUMPSA-N 0 3 248.326 1.108 20 70 BDIDHN CC(C)[C@H](N)C(=O)NC[C@H]1CCc2ccccc21 ZINC000159733431 345505808 /nfs/dbraw/zinc/50/58/08/345505808.db2.gz BQGGZGASEQCEFU-OCCSQVGLSA-N 0 3 246.354 1.816 20 70 BDIDHN C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1C ZINC000159880994 345581900 /nfs/dbraw/zinc/58/19/00/345581900.db2.gz JZEDQGPXBHPLOZ-PTRXPTGYSA-N 0 3 218.300 1.383 20 70 BDIDHN CC[C@H](N[C@H](C)CO)c1ccc(F)cn1 ZINC000161316334 346168504 /nfs/dbraw/zinc/16/85/04/346168504.db2.gz UYRXBKRYULEMLC-SCZZXKLOSA-N 0 3 212.268 1.642 20 70 BDIDHN COC(=O)[C@H]1CCCN(CCOCC2CC2)C1 ZINC000160344973 347474650 /nfs/dbraw/zinc/47/46/50/347474650.db2.gz SOAQCFMHNUWIDS-LBPRGKRZSA-N 0 3 241.331 1.298 20 70 BDIDHN Cc1cccnc1CN[C@H](CO)C(C)C ZINC000159631042 179385479 /nfs/dbraw/zinc/38/54/79/179385479.db2.gz CIJGOMONMRLZMI-GFCCVEGCSA-N 0 3 208.305 1.497 20 70 BDIDHN CCN1CCCN(C(=O)NC2CC=CC2)CC1 ZINC000159988004 538881015 /nfs/dbraw/zinc/88/10/15/538881015.db2.gz KXCHTGORHJCPJR-UHFFFAOYSA-N 0 3 237.347 1.442 20 70 BDIDHN COC[C@@H](O)CNC/C=C\c1ccccc1 ZINC000217221826 134246620 /nfs/dbraw/zinc/24/66/20/134246620.db2.gz YSLASXYDVDLQSG-UJZCVKTISA-N 0 3 221.300 1.297 20 70 BDIDHN CCN(CCOCCO)CCc1nccs1 ZINC000159424864 384330519 /nfs/dbraw/zinc/33/05/19/384330519.db2.gz KCKHUSBHMBNGOI-UHFFFAOYSA-N 0 3 244.360 1.016 20 70 BDIDHN Cc1ccc(C[C@H](C)N(C)C(=O)CN)cc1 ZINC000161156468 384513676 /nfs/dbraw/zinc/51/36/76/384513676.db2.gz OZGODMAOBSHZOV-NSHDSACASA-N 0 3 220.316 1.343 20 70 BDIDHN CCSCCN(C)[C@@H]1CCCCNC1=O ZINC000160295971 384656275 /nfs/dbraw/zinc/65/62/75/384656275.db2.gz VMSUNYWMYCUMMN-SNVBAGLBSA-N 0 3 230.377 1.340 20 70 BDIDHN C[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 ZINC000161393740 386080236 /nfs/dbraw/zinc/08/02/36/386080236.db2.gz XYZZASBPRKZXDO-ONGXEEELSA-N 0 3 248.326 1.752 20 70 BDIDHN C[C@@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F ZINC000161020227 388000820 /nfs/dbraw/zinc/00/08/20/388000820.db2.gz LUAMPLPTCPHPQA-MATHAZKKSA-N 0 3 240.253 1.284 20 70 BDIDHN Cc1ccc(CNC(C)(C)[C@H](C)O)nc1 ZINC000160615849 388077993 /nfs/dbraw/zinc/07/79/93/388077993.db2.gz NYGSUAHUKSOXAH-JTQLQIEISA-N 0 3 208.305 1.639 20 70 BDIDHN C[C@@H](N[C@@H](C)c1ccccn1)[C@H](C)CO ZINC000160893337 388099027 /nfs/dbraw/zinc/09/90/27/388099027.db2.gz GKFLOUWVMWIQIL-MXWKQRLJSA-N 0 3 208.305 1.749 20 70 BDIDHN CCC[C@@H](O)CN[C@H](C)c1ccccn1 ZINC000160891554 388099528 /nfs/dbraw/zinc/09/95/28/388099528.db2.gz NKJSNTIOWLLPRW-GHMZBOCLSA-N 0 3 208.305 1.893 20 70 BDIDHN CCO[C@H]1C[C@H](NC(=O)[C@@H](C)N)C12CCCC2 ZINC000161111912 388454727 /nfs/dbraw/zinc/45/47/27/388454727.db2.gz KJLQENRHMSEIHQ-VWYCJHECSA-N 0 3 240.347 1.188 20 70 BDIDHN CNCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000161420189 173327236 /nfs/dbraw/zinc/32/72/36/173327236.db2.gz WDFPIPTWXDWCKJ-WCQYABFASA-N 0 3 232.327 1.610 20 70 BDIDHN C[C@@H]1[C@H](C)SCCN1C(=O)CNC1CC1 ZINC000159622851 323040608 /nfs/dbraw/zinc/04/06/08/323040608.db2.gz CZLBZAAEPVJGNL-BDAKNGLRSA-N 0 3 228.361 1.091 20 70 BDIDHN C[C@H]1Cc2ccc(F)cc2[C@H]1NCCO ZINC000159725477 323045165 /nfs/dbraw/zinc/04/51/65/323045165.db2.gz LEKXNXLUIRXSOG-UFBFGSQYSA-N 0 3 209.264 1.641 20 70 BDIDHN CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N(C)C ZINC000160521225 323069937 /nfs/dbraw/zinc/06/99/37/323069937.db2.gz NUTZWGQDVQRAAH-MNOVXSKESA-N 0 3 214.353 1.831 20 70 BDIDHN C[C@H](CNC(=O)NC1(C)CCC1)N(C)C1CC1 ZINC000160813043 323136305 /nfs/dbraw/zinc/13/63/05/323136305.db2.gz AYVXLFVIAXKXOJ-SNVBAGLBSA-N 0 3 239.363 1.711 20 70 BDIDHN CCCC[C@H](COC)NC(=O)[C@H](N)C(C)C ZINC000161166743 323149548 /nfs/dbraw/zinc/14/95/48/323149548.db2.gz VDGIGSJVTZBZJZ-GHMZBOCLSA-N 0 3 230.352 1.291 20 70 BDIDHN CC[C@H](N)C(=O)NC[C@H]1C[C@@H]1c1ccccc1 ZINC000159791200 488088079 /nfs/dbraw/zinc/08/80/79/488088079.db2.gz BABFSCSQNORUBN-UPJWGTAASA-N 0 3 232.327 1.644 20 70 BDIDHN